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

C17H17N3O3S — CID 117082813

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-9-14(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)
InChIKeyYBLSGQFTWYRXNR-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-5-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 117082813) 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-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID117082813
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-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-9-14(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)
InChIKeyYBLSGQFTWYRXNR-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

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Related Compounds

5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide
CID 155387479
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643675
[(1R)-1-[5-(2-bromo-1,3-thiazol-5-yl)-3-methyl-1,2-oxazol-4-yl]-2-(2-fluorophenyl)ethyl]carbamic acid
CID 117897462
[1-[5-(2-Bromo-1,3-thiazol-5-yl)-3-methyl-1,2-oxazol-4-yl]-1-(2-fluorophenyl)ethyl]carbamic acid
CID 173108353
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117087501
2-[(4-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 53567221
5-methyl-N-({1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-piperidinyl}methyl)-3-isoxazolecarboxamide
CID 45594440
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117082823
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 117084448
N-[2-(4-hydroxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117085193
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117085912

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-5-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 117082813) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1noc(C)c1-c1ncc(C(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YBLSGQFTWYRXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-15(11(2)23-20-10)17-19-9-14(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-5-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-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-5-carboxamide is sourced from PubChem (CID 117082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).