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

C17H13FN2O3 — CID 135573171

IUPACN-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(23-20-14)13-3-1-2-4-15(13)21/h1-9,21H,10H2,(H,19,22)
InChIKeyXMXKKRUJHXJCSE-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.12
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 135573171) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID135573171
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(23-20-14)13-3-1-2-4-15(13)21/h1-9,21H,10H2,(H,19,22)
InChIKeyXMXKKRUJHXJCSE-UHFFFAOYSA-N
XLogP3.12
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573197
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 51070682
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308800

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 135573171) is N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2O)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XMXKKRUJHXJCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(23-20-14)13-3-1-2-4-15(13)21/h1-9,21H,10H2,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135573171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).