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

C18H16N2O3 — CID 17438333

IUPAC3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C18H16N2O3/c1-13-11-17(23-20-13)18(21)19-15-7-9-16(10-8-15)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyTWXJVXRBAWDVPX-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.81
Rot. Bonds5

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

3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 17438333) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID17438333
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C18H16N2O3/c1-13-11-17(23-20-13)18(21)19-15-7-9-16(10-8-15)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyTWXJVXRBAWDVPX-UHFFFAOYSA-N
XLogP3.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk481
CID 90351311
N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
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CID 1093730
N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 17438333) is 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)on1.
What is the InChIKey of 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is TWXJVXRBAWDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13-11-17(23-20-13)18(21)19-15-7-9-16(10-8-15)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17438333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).