3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

C16H16Cl2N2O3 — CID 1070167

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H16Cl2N2O3/c1-9-13(16(21)19-8-10-4-3-7-22-10)15(20-23-9)14-11(17)5-2-6-12(14)18/h2,5-6,10H,3-4,7-8H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyCWGDOCRMDWLLGW-SNVBAGLBSA-N
MW355.22 g/mol
LogP3.87
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 1070167) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID1070167
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H16Cl2N2O3/c1-9-13(16(21)19-8-10-4-3-7-22-10)15(20-23-9)14-11(17)5-2-6-12(14)18/h2,5-6,10H,3-4,7-8H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyCWGDOCRMDWLLGW-SNVBAGLBSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
3-(furan-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110682397
3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 95063975
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2726141
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
N-[(2-bromophenyl)methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 46232351
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 1070167) is 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CWGDOCRMDWLLGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-9-13(16(21)19-8-10-4-3-7-22-10)15(20-23-9)14-11(17)5-2-6-12(14)18/h2,5-6,10H,3-4,7-8H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1070167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).