2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C17H17N3O3S — CID 117085912

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-14(9-24-17)16(22)18-8-7-12-3-5-13(21)6-4-12/h3-6,9,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyBMVBSJAZUKXYQR-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.09
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 117085912) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID117085912
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-14(9-24-17)16(22)18-8-7-12-3-5-13(21)6-4-12/h3-6,9,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyBMVBSJAZUKXYQR-UHFFFAOYSA-N
XLogP3.09
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
N-benzyl-2-(3-benzylisoxazol-5-yl)-4-methylthiazole-5-carboxamide
CID 24960062
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
US11306078, Example 1.031
CID 141749003
US11306078, Example 1.068
CID 141749005
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
5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide
CID 155387479
N-((5-(2,4-difluorophenyl)isoxazol-3-yl)methyl)-2-methylthiazole-4-carboxamide
CID 45497826
N-((5-(4-fluorophenyl)isoxazol-3-yl)methyl)-2,4-dimethylthiazole-5-carboxamide
CID 45511193
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-{[3-(3-fluorophenyl)isoxazol-5-yl]methyl}acetamide
CID 56743071

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 117085912) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is Cc1noc(C)c1-c1nc(C(=O)NCCc2ccc(O)cc2)cs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BMVBSJAZUKXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-14(9-24-17)16(22)18-8-7-12-3-5-13(21)6-4-12/h3-6,9,21H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117085912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).