N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H15FN2O2 — CID 673491

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCPYLYWGKVAEOMS-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 673491) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID673491
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCPYLYWGKVAEOMS-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
Cambridge id 5777587
CID 869900
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 673491) is N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is CPYLYWGKVAEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-16(17(21-23-12)14-5-3-2-4-6-14)18(22)20-11-13-7-9-15(19)10-8-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 673491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).