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

C18H13ClN2O4 — CID 1119211

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H13ClN2O4/c1-10-16(17(21-25-10)12-4-2-3-5-13(12)19)18(22)20-11-6-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyDDQVXGLUXPNBER-UHFFFAOYSA-N
MW356.77 g/mol
LogP4.28
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1119211) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1119211
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H13ClN2O4/c1-10-16(17(21-25-10)12-4-2-3-5-13(12)19)18(22)20-11-6-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyDDQVXGLUXPNBER-UHFFFAOYSA-N
XLogP4.28
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093852
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
Methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
CID 1044810
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
n-(2-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 11606121
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1022785
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1119212
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24980379
5-[2-(1,3-benzodioxol-4-yl)ethyl]-3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 44394930
5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 44394947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1119211) is N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DDQVXGLUXPNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-10-16(17(21-25-10)12-4-2-3-5-13(12)19)18(22)20-11-6-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 4.28, 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)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1119211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).