5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide

C21H22N2O3S — CID 171692005

IUPAC5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)NCC3CC3c3cccs3)no2)cc1
InChIInChI=1S/C21H22N2O3S/c1-13(2)25-16-7-5-14(6-8-16)19-11-18(23-26-19)21(24)22-12-15-10-17(15)20-4-3-9-27-20/h3-9,11,13,15,17H,10,12H2,1-2H3,(H,22,24)
InChIKeyPKNXFLPHBVUYEK-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.72
Rot. Bonds7

About 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide

5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 171692005) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID171692005
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)NCC3CC3c3cccs3)no2)cc1
InChIInChI=1S/C21H22N2O3S/c1-13(2)25-16-7-5-14(6-8-16)19-11-18(23-26-19)21(24)22-12-15-10-17(15)20-4-3-9-27-20/h3-9,11,13,15,17H,10,12H2,1-2H3,(H,22,24)
InChIKeyPKNXFLPHBVUYEK-UHFFFAOYSA-N
XLogP4.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 17016175
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582828
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
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-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide (CID 171692005) is 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide is CC(C)Oc1ccc(-c2cc(C(=O)NCC3CC3c3cccs3)no2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PKNXFLPHBVUYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-13(2)25-16-7-5-14(6-8-16)19-11-18(23-26-19)21(24)22-12-15-10-17(15)20-4-3-9-27-20/h3-9,11,13,15,17H,10,12H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-N-[(2-thiophen-2-ylcyclopropyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171692005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).