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

C13H13FN2O3 — CID 53195161

IUPACN-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C)oc2C)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-12(15-8(2)19-7)13(17)16-9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17)
InChIKeyBTOQBJSLTKYETF-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.69
Rot. Bonds3

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

N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195161) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195161
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C)oc2C)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-12(15-8(2)19-7)13(17)16-9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17)
InChIKeyBTOQBJSLTKYETF-UHFFFAOYSA-N
XLogP2.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3237501
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CID 3238135
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CID 57401980
CID 57401980
CID 2726932
CID 2726932
CID 44610730
CID 44610730
CID 53168460
CID 53168460
CID 53168491
CID 53168491
CID 53195142
CID 53195142
CID 53195145
CID 53195145
CID 53195156
CID 53195156
CID 53195175
CID 53195175
CID 53195227
CID 53195227

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 53195161) is N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2nc(C)oc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is BTOQBJSLTKYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-12(15-8(2)19-7)13(17)16-9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).