5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C19H16ClFN2O3 — CID 46415872

IUPAC5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-11(12-6-7-17(25-2)15(21)9-12)22-19(24)16-10-18(26-23-16)13-4-3-5-14(20)8-13/h3-11H,1-2H3,(H,22,24)
InChIKeyJZNMYPAMHSIIGO-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.63
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 46415872) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID46415872
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-11(12-6-7-17(25-2)15(21)9-12)22-19(24)16-10-18(26-23-16)13-4-3-5-14(20)8-13/h3-11H,1-2H3,(H,22,24)
InChIKeyJZNMYPAMHSIIGO-UHFFFAOYSA-N
XLogP4.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 46415872) is 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(C(C)NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1F.
What is the InChIKey of 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JZNMYPAMHSIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11(12-6-7-17(25-2)15(21)9-12)22-19(24)16-10-18(26-23-16)13-4-3-5-14(20)8-13/h3-11H,1-2H3,(H,22,24).
What are the key properties of 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46415872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).