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

C12H11FN2O3 — CID 75455329

IUPACN-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C12H11FN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,16)
InChIKeyILCCHMDVPWYMKE-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.75
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 75455329) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID75455329
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C12H11FN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,16)
InChIKeyILCCHMDVPWYMKE-UHFFFAOYSA-N
XLogP1.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802467

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 75455329) is N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCc2ccc(F)cc2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ILCCHMDVPWYMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75455329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).