(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate

C16H13N3O3 — CID 71591427

IUPAC(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H13N3O3/c20-16(18-12-6-2-1-3-7-12)21-11-13-10-15(19-22-13)14-8-4-5-9-17-14/h1-10H,11H2,(H,18,20)
InChIKeyOBUQNWNGMQBEDH-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.49
Rot. Bonds4

About (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate

(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate (PubChem CID 71591427) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate
PubChem CID71591427
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H13N3O3/c20-16(18-12-6-2-1-3-7-12)21-11-13-10-15(19-22-13)14-8-4-5-9-17-14/h1-10H,11H2,(H,18,20)
InChIKeyOBUQNWNGMQBEDH-UHFFFAOYSA-N
XLogP3.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl N-phenylcarbamate
CID 4689975
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 91764642
(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
N-(1-benzylpyrazol-4-yl)-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 156596105
5-amino-N-(3-phenylmethoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 91549211
N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165428447
3,5-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143097
[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate
CID 900055
N-phenylaniline;2-pyridin-2-ylpyridine
CID 175252376

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate?
The IUPAC name of (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate (CID 71591427) is (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate?
The canonical SMILES for (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1cc(-c2ccccn2)no1.
What is the InChIKey of (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate?
The InChIKey is OBUQNWNGMQBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(18-12-6-2-1-3-7-12)21-11-13-10-15(19-22-13)14-8-4-5-9-17-14/h1-10H,11H2,(H,18,20).
What are the key properties of (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate?
(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate has a molecular weight of 295.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 71591427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).