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

C19H18N2O3 — CID 5016617

IUPACN-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C19H18N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)17-12-18(24-21-17)14-8-10-15(23-2)11-9-14/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeySCCJAVQNBKPLEC-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.16
Rot. Bonds5

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

N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5016617) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5016617
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C19H18N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)17-12-18(24-21-17)14-8-10-15(23-2)11-9-14/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeySCCJAVQNBKPLEC-UHFFFAOYSA-N
XLogP4.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 5016617) is N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SCCJAVQNBKPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)17-12-18(24-21-17)14-8-10-15(23-2)11-9-14/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5016617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).