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

C19H16N4O3 — CID 90278547

IUPACbenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate
SMILESO=C(NCc1ncc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1
InChIInChI=1S/C19H16N4O3/c24-19(25-12-13-5-2-1-3-6-13)23-11-17-21-10-16(26-17)15-9-22-18-14(15)7-4-8-20-18/h1-10H,11-12H2,(H,20,22)(H,23,24)
InChIKeyLKFUKNDJNKEQBA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.64
Rot. Bonds5

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

benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate (PubChem CID 90278547) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate
PubChem CID90278547
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namebenzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate
SMILESO=C(NCc1ncc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1
InChIInChI=1S/C19H16N4O3/c24-19(25-12-13-5-2-1-3-6-13)23-11-17-21-10-16(26-17)15-9-22-18-14(15)7-4-8-20-18/h1-10H,11-12H2,(H,20,22)(H,23,24)
InChIKeyLKFUKNDJNKEQBA-UHFFFAOYSA-N
XLogP3.64
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 137301297
benzyl N-[2-methyl-1-[5-[4-[4-[2-(phenylmethoxycarbonylaminomethyl)-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]propyl]carbamate
CID 134421164
ethyl 2-(phenylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135395667
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[3-(3-formyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169472347
[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 143186995

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate (CID 90278547) is benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate is O=C(NCc1ncc(-c2c[nH]c3ncccc23)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate?
The InChIKey is LKFUKNDJNKEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(25-12-13-5-2-1-3-6-13)23-11-17-21-10-16(26-17)15-9-22-18-14(15)7-4-8-20-18/h1-10H,11-12H2,(H,20,22)(H,23,24).
What are the key properties of benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate?
benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]carbamate has a molecular weight of 348.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-oxazol-2-yl]methyl]carbamate is sourced from PubChem (CID 90278547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).