N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H13ClN2O3S — CID 46576586

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H13ClN2O3S/c1-17(8-10-6-7-13(16)22-10)14(19)9-18-11-4-2-3-5-12(11)21-15(18)20/h2-7H,8-9H2,1H3
InChIKeyVIKOUCFINGKZMS-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.97
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 46576586) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID46576586
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H13ClN2O3S/c1-17(8-10-6-7-13(16)22-10)14(19)9-18-11-4-2-3-5-12(11)21-15(18)20/h2-7H,8-9H2,1H3
InChIKeyVIKOUCFINGKZMS-UHFFFAOYSA-N
XLogP2.97
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 8892909
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8986745
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 17439958
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808848
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydroindol-1-yl)-N-methylacetamide
CID 112799700
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 157016365
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38135958
N-[(2-chlorophenyl)methyl]-N-methyl-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 78795070
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 78792569

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 46576586) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VIKOUCFINGKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-17(8-10-6-7-13(16)22-10)14(19)9-18-11-4-2-3-5-12(11)21-15(18)20/h2-7H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 336.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 46576586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).