1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide

C23H28ClN5O2S — CID 10005099

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)c(C3CC3)n2)CC1
InChIInChI=1S/C23H28ClN5O2S/c1-14(2)28-9-7-16(8-10-28)25-23(30)18-13-29(22(26-18)15-3-4-15)12-17-11-19(31-27-17)20-5-6-21(24)32-20/h5-6,11,13-16H,3-4,7-10,12H2,1-2H3,(H,25,30)
InChIKeyZILCWUIRPGXERL-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.78
Rot. Bonds7

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 10005099) has the molecular formula C23H28ClN5O2S and a molecular weight of 474.03 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID10005099
Molecular FormulaC23H28ClN5O2S
Molecular Weight474.03 g/mol
Exact Mass473.17
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)c(C3CC3)n2)CC1
InChIInChI=1S/C23H28ClN5O2S/c1-14(2)28-9-7-16(8-10-28)25-23(30)18-13-29(22(26-18)15-3-4-15)12-17-11-19(31-27-17)20-5-6-21(24)32-20/h5-6,11,13-16H,3-4,7-10,12H2,1-2H3,(H,25,30)
InChIKeyZILCWUIRPGXERL-UHFFFAOYSA-N
XLogP4.78
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (CID 10005099) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)c(C3CC3)n2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is ZILCWUIRPGXERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2S/c1-14(2)28-9-7-16(8-10-28)25-23(30)18-13-29(22(26-18)15-3-4-15)12-17-11-19(31-27-17)20-5-6-21(24)32-20/h5-6,11,13-16H,3-4,7-10,12H2,1-2H3,(H,25,30).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 474.03 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 10005099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).