N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C21H20FN3O4 — CID 93139934

IUPACN-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCc3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H20FN3O4/c1-13(20(26)23-12-14-3-7-16(22)8-4-14)24-21(27)18-11-19(29-25-18)15-5-9-17(28-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,27)/t13-/m0/s1
InChIKeyFQAHYSXKSHSBFU-ZDUSSCGKSA-N
MW397.41 g/mol
LogP2.92
Rot. Bonds7

About N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93139934) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID93139934
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCc3ccc(F)cc3)no2)cc1
InChIInChI=1S/C21H20FN3O4/c1-13(20(26)23-12-14-3-7-16(22)8-4-14)24-21(27)18-11-19(29-25-18)15-5-9-17(28-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,27)/t13-/m0/s1
InChIKeyFQAHYSXKSHSBFU-ZDUSSCGKSA-N
XLogP2.92
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48992159
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140787
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140653
N-[[4-(3-chloro-2-methylphenoxy)phenyl]methyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 163347457
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994
N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066624
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 93139934) is N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)NCc3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FQAHYSXKSHSBFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-13(20(26)23-12-14-3-7-16(22)8-4-14)24-21(27)18-11-19(29-25-18)15-5-9-17(28-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,27)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93139934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).