N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C18H17ClN2O3S — CID 55712564

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C18H17ClN2O3S/c1-11-16(20-17(24-11)15-5-4-8-25-15)18(22)21(2)10-12-9-13(19)6-7-14(12)23-3/h4-9H,10H2,1-3H3
InChIKeyWPKRGTGPSFOWPE-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.65
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55712564) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55712564
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C18H17ClN2O3S/c1-11-16(20-17(24-11)15-5-4-8-25-15)18(22)21(2)10-12-9-13(19)6-7-14(12)23-3/h4-9H,10H2,1-3H3
InChIKeyWPKRGTGPSFOWPE-UHFFFAOYSA-N
XLogP4.65
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24665990
N-[(5-chloro-2-methoxyphenyl)methyl]-N,3-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 154567902
N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71909794
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55579560
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 55892178
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 32761132
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55712564) is N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is WPKRGTGPSFOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-11-16(20-17(24-11)15-5-4-8-25-15)18(22)21(2)10-12-9-13(19)6-7-14(12)23-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 376.87 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55712564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).