N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C19H18N2O3 — CID 90574190

IUPACN-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1C
InChIInChI=1S/C19H18N2O3/c1-13-8-9-16(10-14(13)2)20-19(22)17-11-18(21-24-17)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyISGVYHRTOLYBEY-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 90574190) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID90574190
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1C
InChIInChI=1S/C19H18N2O3/c1-13-8-9-16(10-14(13)2)20-19(22)17-11-18(21-24-17)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyISGVYHRTOLYBEY-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 90574190) is N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ISGVYHRTOLYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-8-9-16(10-14(13)2)20-19(22)17-11-18(21-24-17)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).