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

C20H24ClN5O2S — CID 10365602

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)cn2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)26-7-5-14(6-8-26)23-20(27)16-11-25(12-22-16)10-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,23,27)
InChIKeyGNGWUFWIUWBOEK-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.90
Rot. Bonds6

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 10365602) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-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]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID10365602
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)cn2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)26-7-5-14(6-8-26)23-20(27)16-11-25(12-22-16)10-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,23,27)
InChIKeyGNGWUFWIUWBOEK-UHFFFAOYSA-N
XLogP3.90
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.90
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]-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]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (CID 10365602) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-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]-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]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)cn2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is GNGWUFWIUWBOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-13(2)26-7-5-14(6-8-26)23-20(27)16-11-25(12-22-16)10-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,23,27).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 433.97 g/mol, XLogP of 3.90, 6 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]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 10365602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).