5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

C62H74N10O2 — CID 161120444

IUPAC5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2c(c1)CC(N)=N2.CC(C)c1ccc2onc(N)c2c1.CC(C)c1ccc2oncc2c1
InChIInChI=1S/C11H14N2.C11H13N.C10H12N2O.2C10H12N2.C10H11NO/c1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyUKWNDXLDHXXPIS-UHFFFAOYSA-N
MW991.34 g/mol
LogP16.50
Rot. Bonds6

About 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 161120444) has the molecular formula C62H74N10O2 and a molecular weight of 991.34 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID161120444
Molecular FormulaC62H74N10O2
Molecular Weight991.34 g/mol
Exact Mass990.60
IUPAC Name5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2c(c1)CC(N)=N2.CC(C)c1ccc2onc(N)c2c1.CC(C)c1ccc2oncc2c1
InChIInChI=1S/C11H14N2.C11H13N.C10H12N2O.2C10H12N2.C10H11NO/c1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyUKWNDXLDHXXPIS-UHFFFAOYSA-N
XLogP16.50
TPSA189.61 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.34
LogP ≤ 516.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
CID 70909510
3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71042049
4-propan-2-yl-2H-2,6-naphthyridin-1-one
CID 159787624
5-(4-propan-2-ylphenyl)-1,2-benzoxazole
CID 146554947
5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58087596
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
CID 110453762
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
CID 82412113
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (CID 161120444) is 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2c(c1)CC(N)=N2.CC(C)c1ccc2onc(N)c2c1.CC(C)c1ccc2oncc2c1.
What is the InChIKey of 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is UKWNDXLDHXXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C11H13N.C10H12N2O.2C10H12N2.C10H11NO/c1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 991.34 g/mol, XLogP of 16.50, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-3H-indol-2-amine;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 161120444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).