tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate

C17H21N3O3 — CID 168946781

IUPACtert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
SMILESCc1nc2c(ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c32)o1
InChIInChI=1S/C17H21N3O3/c1-10-20-15-13(22-10)6-5-12-14(15)11(9-19-12)7-8-18-16(21)23-17(2,3)4/h5-6,9,19H,7-8H2,1-4H3,(H,18,21)
InChIKeyCOVZYAAVZXKHSI-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate

tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate (PubChem CID 168946781) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
PubChem CID168946781
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nametert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
SMILESCc1nc2c(ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c32)o1
InChIInChI=1S/C17H21N3O3/c1-10-20-15-13(22-10)6-5-12-14(15)11(9-19-12)7-8-18-16(21)23-17(2,3)4/h5-6,9,19H,7-8H2,1-4H3,(H,18,21)
InChIKeyCOVZYAAVZXKHSI-UHFFFAOYSA-N
XLogP3.68
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 121326829
tert-butyl N-[3-[[N'-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
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tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
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tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
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tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 19022933
tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate (CID 168946781) is tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate is Cc1nc2c(ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c32)o1.
What is the InChIKey of tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate?
The InChIKey is COVZYAAVZXKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-20-15-13(22-10)6-5-12-14(15)11(9-19-12)7-8-18-16(21)23-17(2,3)4/h5-6,9,19H,7-8H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate is sourced from PubChem (CID 168946781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).