N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C18H17ClN2O2S — CID 24665990

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2S/c1-12-15(20-18(23-12)16-7-4-8-24-16)10-17(22)21(2)11-13-5-3-6-14(19)9-13/h3-9H,10-11H2,1-2H3
InChIKeyFHSALIXRHSASKM-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.57
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 24665990) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID24665990
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2S/c1-12-15(20-18(23-12)16-7-4-8-24-16)10-17(22)21(2)11-13-5-3-6-14(19)9-13/h3-9H,10-11H2,1-2H3
InChIKeyFHSALIXRHSASKM-UHFFFAOYSA-N
XLogP4.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55579560
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 42937713
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55712564
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 24665990) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is FHSALIXRHSASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-12-15(20-18(23-12)16-7-4-8-24-16)10-17(22)21(2)11-13-5-3-6-14(19)9-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 360.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24665990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).