N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C16H16FN3O4 — CID 167480989

IUPACN-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccc(F)cc2)C(=O)NCC=O)no1
InChIInChI=1S/C16H16FN3O4/c1-10-8-14(20-24-10)16(23)19-13(15(22)18-6-7-21)9-11-2-4-12(17)5-3-11/h2-5,7-8,13H,6,9H2,1H3,(H,18,22)(H,19,23)
InChIKeySMUANKOJEOYRDQ-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.78
Rot. Bonds7

About N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 167480989) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID167480989
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC NameN-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccc(F)cc2)C(=O)NCC=O)no1
InChIInChI=1S/C16H16FN3O4/c1-10-8-14(20-24-10)16(23)19-13(15(22)18-6-7-21)9-11-2-4-12(17)5-3-11/h2-5,7-8,13H,6,9H2,1H3,(H,18,22)(H,19,23)
InChIKeySMUANKOJEOYRDQ-UHFFFAOYSA-N
XLogP0.78
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 167480952
N-[(2S)-1-[[(E,2S)-4-cyano-1-[(3S)-2-oxopiperidin-3-yl]but-3-en-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155557855
N-[1-[[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 167445974
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[(2S)-1-[[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(E,2S)-1-[(3S)-2-oxopiperidin-3-yl]pent-3-en-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 58593528
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
[(3S)-3-[[(2S)-3-(4-fluorophenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]-3-[[(2S,3S)-2-hydroxypiperidin-3-yl]methyl]thiiran-2-ylidene]oxidanium
CID 138105898
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
2,3-bis(4-fluorophenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310825

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 167480989) is N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccc(F)cc2)C(=O)NCC=O)no1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SMUANKOJEOYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-10-8-14(20-24-10)16(23)19-13(15(22)18-6-7-21)9-11-2-4-12(17)5-3-11/h2-5,7-8,13H,6,9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-oxo-1-(2-oxoethylamino)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167480989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).