3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

C93H122N10O3 — CID 161380731

IUPAC3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1Cc2ccccc2N1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1noc2ccccc12.CC(C)(C)n1cc2ccccc2c1.CC(C)N1CCc2ccccc2C1=O.CC(C)N1CCn2c(cccc2=O)C1
InChIInChI=1S/C12H15NO.C12H15N.C12H17N.C12H15N.C12H17N.C11H16N2O.C11H14N2.C11H13NO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12(13)14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-6-7-13-10(8-12)4-3-5-11(13)14;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h3-6,9H,7-8H2,1-2H3;4-9H,1-3H3;4-7,10,13H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,11,13H,8H2,1-3H3;3-5,9H,6-8H2,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyVRRNUZQQGYXXJG-UHFFFAOYSA-N
MW1428.07 g/mol
LogP21.89
Rot. Bonds2

About 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 161380731) has the molecular formula C93H122N10O3 and a molecular weight of 1428.07 g/mol. Its IUPAC name is 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID161380731
Molecular FormulaC93H122N10O3
Molecular Weight1428.07 g/mol
Exact Mass1426.97
IUPAC Name3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1Cc2ccccc2N1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1noc2ccccc12.CC(C)(C)n1cc2ccccc2c1.CC(C)N1CCc2ccccc2C1=O.CC(C)N1CCn2c(cccc2=O)C1
InChIInChI=1S/C12H15NO.C12H15N.C12H17N.C12H15N.C12H17N.C11H16N2O.C11H14N2.C11H13NO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12(13)14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-6-7-13-10(8-12)4-3-5-11(13)14;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h3-6,9H,7-8H2,1-2H3;4-9H,1-3H3;4-7,10,13H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,11,13H,8H2,1-3H3;3-5,9H,6-8H2,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyVRRNUZQQGYXXJG-UHFFFAOYSA-N
XLogP21.89
TPSA141.61 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.07
LogP ≤ 521.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 161380731) is 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1Cc2ccccc2N1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1noc2ccccc12.CC(C)(C)n1cc2ccccc2c1.CC(C)N1CCc2ccccc2C1=O.CC(C)N1CCn2c(cccc2=O)C1.
What is the InChIKey of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is VRRNUZQQGYXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H15N.C12H17N.C12H15N.C12H17N.C11H16N2O.C11H14N2.C11H13NO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12(13)14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-6-7-13-10(8-12)4-3-5-11(13)14;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h3-6,9H,7-8H2,1-2H3;4-9H,1-3H3;4-7,10,13H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,11,13H,8H2,1-3H3;3-5,9H,6-8H2,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3.
What are the key properties of 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 1428.07 g/mol, XLogP of 21.89, 2 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 161380731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).