N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C12H11FN2O3 — CID 32610016

IUPACN-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C12H11FN2O3/c1-7-5-11(18-15-7)12(16)14-9-4-3-8(13)6-10(9)17-2/h3-6H,1-2H3,(H,14,16)
InChIKeyVXMCTSMTZZFRJG-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.38
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 32610016) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID32610016
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C12H11FN2O3/c1-7-5-11(18-15-7)12(16)14-9-4-3-8(13)6-10(9)17-2/h3-6H,1-2H3,(H,14,16)
InChIKeyVXMCTSMTZZFRJG-UHFFFAOYSA-N
XLogP2.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 32610016) is N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is COc1cc(F)ccc1NC(=O)c1cc(C)no1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VXMCTSMTZZFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-5-11(18-15-7)12(16)14-9-4-3-8(13)6-10(9)17-2/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 32610016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).