5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide

C19H18N2O3 — CID 2571454

IUPAC5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17-18(13(2)21-24-17)19(22)20-14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyCENITCJJVPEMQI-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.59
Rot. Bonds5

About 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide

5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 2571454) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID2571454
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17-18(13(2)21-24-17)19(22)20-14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyCENITCJJVPEMQI-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877
N-[4-(dimethylcarbamoyl)phenyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112794910
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)benzamide
CID 36709348
3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47789323
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117085382
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
5-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-4-carboxamide
CID 112759271
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide (CID 2571454) is 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is CENITCJJVPEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-17-18(13(2)21-24-17)19(22)20-14-9-11-16(12-10-14)23-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide?
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2571454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).