3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide

C14H12N4O3 — CID 110678767

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ncccn1
InChIInChI=1S/C14H12N4O3/c19-12(18-13-15-6-1-7-16-13)5-3-9-2-4-11-10(8-9)17-14(20)21-11/h1-2,4,6-8H,3,5H2,(H,17,20)(H,15,16,18,19)
InChIKeyYROSMLSAYYYAKK-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.48
Rot. Bonds4

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 110678767) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID110678767
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ncccn1
InChIInChI=1S/C14H12N4O3/c19-12(18-13-15-6-1-7-16-13)5-3-9-2-4-11-10(8-9)17-14(20)21-11/h1-2,4,6-8H,3,5H2,(H,17,20)(H,15,16,18,19)
InChIKeyYROSMLSAYYYAKK-UHFFFAOYSA-N
XLogP1.48
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110678766
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110390405
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110390495
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
CID 75425455
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide (CID 110678767) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide is O=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ncccn1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is YROSMLSAYYYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-12(18-13-15-6-1-7-16-13)5-3-9-2-4-11-10(8-9)17-14(20)21-11/h1-2,4,6-8H,3,5H2,(H,17,20)(H,15,16,18,19).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 284.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 110678767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).