N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C15H15N3O3S — CID 50966738

IUPACN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(c1nccs1)N(C)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H15N3O3S/c1-10(14-16-7-8-22-14)17(2)13(19)9-18-11-5-3-4-6-12(11)21-15(18)20/h3-8,10H,9H2,1-2H3
InChIKeyZEOGRTBJCGPCTQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.27
Rot. Bonds4

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

N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 50966738) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID50966738
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(c1nccs1)N(C)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H15N3O3S/c1-10(14-16-7-8-22-14)17(2)13(19)9-18-11-5-3-4-6-12(11)21-15(18)20/h3-8,10H,9H2,1-2H3
InChIKeyZEOGRTBJCGPCTQ-UHFFFAOYSA-N
XLogP2.27
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 97278275
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 8986652
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
N-methyl-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)acetamide
CID 43055048
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46576586
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 95121672
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 95121673
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43962340
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 50966738) is N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(c1nccs1)N(C)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is ZEOGRTBJCGPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10(14-16-7-8-22-14)17(2)13(19)9-18-11-5-3-4-6-12(11)21-15(18)20/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 50966738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).