(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide

C15H14N4O3 — CID 126431279

IUPAC(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccon1)n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-10(14(20)16-8-11-6-7-22-18-11)19-9-17-13-5-3-2-4-12(13)15(19)21/h2-7,9-10H,8H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyIBTAKTXIWKFQBU-JTQLQIEISA-N
MW298.30 g/mol
LogP1.26
Rot. Bonds4

About (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide

(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 126431279) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID126431279
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccon1)n1cnc2ccccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-10(14(20)16-8-11-6-7-22-18-11)19-9-17-13-5-3-2-4-12(13)15(19)21/h2-7,9-10H,8H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyIBTAKTXIWKFQBU-JTQLQIEISA-N
XLogP1.26
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 119059514
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
CID 4834759
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide
CID 110221025
2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]acetic acid
CID 4835959
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71827680
3-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]quinazolin-4-one
CID 119073153

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 126431279) is (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide is C[C@@H](C(=O)NCc1ccon1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is IBTAKTXIWKFQBU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(14(20)16-8-11-6-7-22-18-11)19-9-17-13-5-3-2-4-12(13)15(19)21/h2-7,9-10H,8H2,1H3,(H,16,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide?
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 298.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 126431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).