2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide

C17H17N3O3S — CID 56794589

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C17H17N3O3S/c1-9(15-10(2)20-23-11(15)3)16(22)19-17-18-14(8-24-17)12-5-4-6-13(21)7-12/h4-9,21H,1-3H3,(H,18,19,22)
InChIKeyDQLBOLSEHBHGSF-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.86
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 56794589) 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-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID56794589
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C17H17N3O3S/c1-9(15-10(2)20-23-11(15)3)16(22)19-17-18-14(8-24-17)12-5-4-6-13(21)7-12/h4-9,21H,1-3H3,(H,18,19,22)
InChIKeyDQLBOLSEHBHGSF-UHFFFAOYSA-N
XLogP3.86
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 95293639
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
4-[2-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38152941
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890199
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 91212756
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 95275027

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 56794589) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide is Cc1noc(C)c1C(C)C(=O)Nc1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DQLBOLSEHBHGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9(15-10(2)20-23-11(15)3)16(22)19-17-18-14(8-24-17)12-5-4-6-13(21)7-12/h4-9,21H,1-3H3,(H,18,19,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.86, 4 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-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 56794589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).