N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H17N3O2S — CID 56738833

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H17N3O2S/c1-12-16(23-11-18-12)8-9-20(2)17(21)14-10-15(22-19-14)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQULGVQMMBKAYGH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 56738833) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID56738833
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H17N3O2S/c1-12-16(23-11-18-12)8-9-20(2)17(21)14-10-15(22-19-14)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQULGVQMMBKAYGH-UHFFFAOYSA-N
XLogP3.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118781736
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
CID 146038181
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
CID 97210749
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
5-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110313435
2-(2-ethoxyethyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 70748032
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 56738833) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ncsc1CCN(C)C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QULGVQMMBKAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-16(23-11-18-12)8-9-20(2)17(21)14-10-15(22-19-14)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56738833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).