benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

C18H15N5O3 — CID 137301297

IUPACbenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESO=C(NCc1nnc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1
InChIInChI=1S/C18H15N5O3/c24-18(25-11-12-5-2-1-3-6-12)21-10-15-22-23-17(26-15)14-9-20-16-13(14)7-4-8-19-16/h1-9H,10-11H2,(H,19,20)(H,21,24)
InChIKeyFBZWBZAPHGSNMA-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.04
Rot. Bonds5

About benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (PubChem CID 137301297) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
PubChem CID137301297
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Namebenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESO=C(NCc1nnc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1
InChIInChI=1S/C18H15N5O3/c24-18(25-11-12-5-2-1-3-6-12)21-10-15-22-23-17(26-15)14-9-20-16-13(14)7-4-8-19-16/h1-9H,10-11H2,(H,19,20)(H,21,24)
InChIKeyFBZWBZAPHGSNMA-UHFFFAOYSA-N
XLogP3.04
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate
CID 90278547
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 11588022
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
ethyl 2-(phenylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135395667
N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 135862898
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (CID 137301297) is benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is O=C(NCc1nnc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The InChIKey is FBZWBZAPHGSNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-18(25-11-12-5-2-1-3-6-12)21-10-15-22-23-17(26-15)14-9-20-16-13(14)7-4-8-19-16/h1-9H,10-11H2,(H,19,20)(H,21,24).
What are the key properties of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate has a molecular weight of 349.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 137301297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).