propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate

C16H15N3O3 — CID 22754803

IUPACpropan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccc2nc(-c3ccccc3)oc2n1
InChIInChI=1S/C16H15N3O3/c1-10(2)21-16(20)19-13-9-8-12-15(18-13)22-14(17-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20)
InChIKeyNKOKNITUYISTKA-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.85
Rot. Bonds3

About propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate

propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate (PubChem CID 22754803) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
PubChem CID22754803
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namepropan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccc2nc(-c3ccccc3)oc2n1
InChIInChI=1S/C16H15N3O3/c1-10(2)21-16(20)19-13-9-8-12-15(18-13)22-14(17-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20)
InChIKeyNKOKNITUYISTKA-UHFFFAOYSA-N
XLogP3.85
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
CID 3852548
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
CID 72942956
methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate
CID 88850339
N-benzyl-2-(4-chlorophenyl)-[1,3]oxazolo[5,4-b]pyridin-5-amine;5-chloro-2-(4-chlorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 160804684
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 139904871
3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
CID 91624677
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The IUPAC name of propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate (CID 22754803) is propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The canonical SMILES for propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate is CC(C)OC(=O)Nc1ccc2nc(-c3ccccc3)oc2n1.
What is the InChIKey of propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The InChIKey is NKOKNITUYISTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(2)21-16(20)19-13-9-8-12-15(18-13)22-14(17-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate has a molecular weight of 297.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate is sourced from PubChem (CID 22754803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).