3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide

C19H18N2O3 — CID 17435298

IUPAC3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-8-10-15(11-9-12)23-17-7-5-4-6-16(17)20-19(22)18-13(2)21-24-14(18)3/h4-11H,1-3H3,(H,20,22)
InChIKeyGAZWBODZJKWGLC-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.64
Rot. Bonds4

About 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 17435298) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID17435298
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-8-10-15(11-9-12)23-17-7-5-4-6-16(17)20-19(22)18-13(2)21-24-14(18)3/h4-11H,1-3H3,(H,20,22)
InChIKeyGAZWBODZJKWGLC-UHFFFAOYSA-N
XLogP4.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 38507620
6-methyl-N-[2-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 38507776
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
3-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110863663
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 17435298) is 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GAZWBODZJKWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-10-15(11-9-12)23-17-7-5-4-6-16(17)20-19(22)18-13(2)21-24-14(18)3/h4-11H,1-3H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17435298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).