N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide

C17H17N3O2S — CID 42326226

IUPACN-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C17H17N3O2S/c1-20(12-16-18-9-10-23-16)17(21)15-11-14(19-22-15)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
InChIKeyFCCHQYDMJSEGPR-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide

N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 42326226) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID42326226
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C17H17N3O2S/c1-20(12-16-18-9-10-23-16)17(21)15-11-14(19-22-15)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
InChIKeyFCCHQYDMJSEGPR-UHFFFAOYSA-N
XLogP3.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
US11306078, Example 1.051
CID 141678175
5-phenyl-N-(2-(thiazole-2-carboxamido)ethyl)isoxazole-3-carboxamide
CID 60167711
3-(2-Fluorophenyl)-5-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 26320559
5-{[benzyl(methyl)amino]methyl}-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]isoxazole-3-carboxamide
CID 56753053
(3S,6R)-4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-3-(2-methylpropyl)-6-(1,3-thiazol-2-yl)piperazin-2-one
CID 76325268
N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97407390
[3-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110129214
5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 122190964
N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 172438810
3-(3,4-Difluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25366776
(2S,4R,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-4-(3-methylisoxazol-5-yl)-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid
CID 3007163

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 42326226) is N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide is CN(Cc1nccs1)C(=O)c1cc(CCc2ccccc2)no1.
What is the InChIKey of N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FCCHQYDMJSEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20(12-16-18-9-10-23-16)17(21)15-11-14(19-22-15)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide?
N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42326226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).