N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H14N2O4 — CID 690908

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c1-11-16(17(20-24-11)12-5-3-2-4-6-12)18(21)19-13-7-8-14-15(9-13)23-10-22-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyDVHOJVOYQWPNEA-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.63
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 690908) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID690908
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c1-11-16(17(20-24-11)12-5-3-2-4-6-12)18(21)19-13-7-8-14-15(9-13)23-10-22-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyDVHOJVOYQWPNEA-UHFFFAOYSA-N
XLogP3.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 690908) is N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DVHOJVOYQWPNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11-16(17(20-24-11)12-5-3-2-4-6-12)18(21)19-13-7-8-14-15(9-13)23-10-22-14/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).