5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide

C16H15N3O3S — CID 52904574

IUPAC5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(2)21-12-5-3-11(4-6-12)14-9-13(19-22-14)15(20)18-16-17-7-8-23-16/h3-10H,1-2H3,(H,17,18,20)
InChIKeySHYMRKNAVHUZTD-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.84
Rot. Bonds5

About 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide

5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 52904574) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID52904574
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(2)21-12-5-3-11(4-6-12)14-9-13(19-22-14)15(20)18-16-17-7-8-23-16/h3-10H,1-2H3,(H,17,18,20)
InChIKeySHYMRKNAVHUZTD-UHFFFAOYSA-N
XLogP3.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904535
N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16879227
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide
CID 171692005
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
5-(3-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 110313569
methyl N-[[4-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]methyl]carbamate
CID 23093077

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 52904574) is 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is CC(C)Oc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SHYMRKNAVHUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(2)21-12-5-3-11(4-6-12)14-9-13(19-22-14)15(20)18-16-17-7-8-23-16/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52904574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).