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

C25H27ClN6O2S — CID 10097872

IUPAC3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(-c3cccnc3)n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C25H27ClN6O2S/c1-16(2)31-10-7-18(8-11-31)29-25(33)20-14-28-24(17-4-3-9-27-13-17)32(20)15-19-12-21(34-30-19)22-5-6-23(26)35-22/h3-6,9,12-14,16,18H,7-8,10-11,15H2,1-2H3,(H,29,33)
InChIKeyZIMGEXAUEBWXES-UHFFFAOYSA-N
MW511.05 g/mol
LogP4.97
Rot. Bonds7

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

3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 10097872) has the molecular formula C25H27ClN6O2S and a molecular weight of 511.05 g/mol. Its IUPAC name is 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide
PubChem CID10097872
Molecular FormulaC25H27ClN6O2S
Molecular Weight511.05 g/mol
Exact Mass510.16
IUPAC Name3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cnc(-c3cccnc3)n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C25H27ClN6O2S/c1-16(2)31-10-7-18(8-11-31)29-25(33)20-14-28-24(17-4-3-9-27-13-17)32(20)15-19-12-21(34-30-19)22-5-6-23(26)35-22/h3-6,9,12-14,16,18H,7-8,10-11,15H2,1-2H3,(H,29,33)
InChIKeyZIMGEXAUEBWXES-UHFFFAOYSA-N
XLogP4.97
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.05
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2,6-dichlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
CID 10370978
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-4-carboxylic acid;hydrochloride
CID 68856569
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;hydrochloride
CID 86595864
1-[2-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]ethyl]-7-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244506
3-tert-butyl-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 10028514
[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 69112254
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309447
methyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-5-sulfonate
CID 11455950
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxamide
CID 10482980
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-pyridin-2-ylimidazole-4-carboxylic acid
CID 69112497
ethyl 1-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrazole-3-carbonyl]piperidine-4-carboxylate
CID 10031774
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[1-(2-methylpropyl)piperidin-4-yl]indole-2-carboxamide
CID 20801125

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide (CID 10097872) is 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide is CC(C)N1CCC(NC(=O)c2cnc(-c3cccnc3)n2Cc2cc(-c3ccc(Cl)s3)on2)CC1.
What is the InChIKey of 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is ZIMGEXAUEBWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2S/c1-16(2)31-10-7-18(8-11-31)29-25(33)20-14-28-24(17-4-3-9-27-13-17)32(20)15-19-12-21(34-30-19)22-5-6-23(26)35-22/h3-6,9,12-14,16,18H,7-8,10-11,15H2,1-2H3,(H,29,33).
What are the key properties of 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide?
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 511.05 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 10097872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).