N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

C16H19ClN2O3 — CID 32761183

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C16H19ClN2O3/c1-10-14(11(2)22-18-10)8-16(20)19(3)9-12-7-13(17)5-6-15(12)21-4/h5-7H,8-9H2,1-4H3
InChIKeyKAWVKMTXSNCRMY-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.15
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (PubChem CID 32761183) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
PubChem CID32761183
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C16H19ClN2O3/c1-10-14(11(2)22-18-10)8-16(20)19(3)9-12-7-13(17)5-6-15(12)21-4/h5-7H,8-9H2,1-4H3
InChIKeyKAWVKMTXSNCRMY-UHFFFAOYSA-N
XLogP3.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17430469
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 154739082
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
methyl 2-[(5-chloro-2-hydroxyphenyl)methyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]acetate
CID 56804670
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 131927462

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (CID 32761183) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is COc1ccc(Cl)cc1CN(C)C(=O)Cc1c(C)noc1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The InChIKey is KAWVKMTXSNCRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-10-14(11(2)22-18-10)8-16(20)19(3)9-12-7-13(17)5-6-15(12)21-4/h5-7H,8-9H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide has a molecular weight of 322.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 32761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).