N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

C18H14N2O4 — CID 2217162

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14N2O4/c21-18(14-9-16(24-20-14)13-4-2-1-3-5-13)19-10-12-6-7-15-17(8-12)23-11-22-15/h1-9H,10-11H2,(H,19,21)
InChIKeyKUGGFYASDUDWTI-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.00
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2217162) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2217162
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14N2O4/c21-18(14-9-16(24-20-14)13-4-2-1-3-5-13)19-10-12-6-7-15-17(8-12)23-11-22-15/h1-9H,10-11H2,(H,19,21)
InChIKeyKUGGFYASDUDWTI-UHFFFAOYSA-N
XLogP3.00
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22015572
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093852
N-allyl-5-(1,3-benzodioxol-5-yl)isoxazole-3-carboxamide
CID 3423164
5-(1,3-benzodioxol-5-yl)-N-(sec-butyl)isoxazole-3-carboxamide
CID 3662254
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 4080332
1-{[5-(1,3-Benzodioxol-5-yl)-3-isoxazolyl]carbonyl}-2-methylpiperidine
CID 4319000
5-(1,3-benzodioxol-5-yl)-N,N-diethylisoxazole-3-carboxamide
CID 4524979
5-(1,3-benzodioxol-5-yl)-N-isopropyl-3-isoxazolecarboxamide
CID 5052952
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
5-(1,3-benzodioxol-5-yl)-N-isobutylisoxazole-3-carboxamide
CID 15993269
5-(1,3-benzodioxol-5-yl)-N-butylisoxazole-3-carboxamide
CID 15994188

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2217162) is N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KUGGFYASDUDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-18(14-9-16(24-20-14)13-4-2-1-3-5-13)19-10-12-6-7-15-17(8-12)23-11-22-15/h1-9H,10-11H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.00, 4 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-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2217162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).