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

C20H24ClN5O2S — CID 10003010

IUPAC3-[[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)c2cncn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)25-7-5-14(6-8-25)23-20(27)16-10-22-12-26(16)11-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,23,27)
InChIKeyDUHWJKMRMPOBCR-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.90
Rot. Bonds6

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

3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 10003010) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 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)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID10003010
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC Name3-[[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)c2cncn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)25-7-5-14(6-8-25)23-20(27)16-10-22-12-26(16)11-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,23,27)
InChIKeyDUHWJKMRMPOBCR-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 3-[[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 3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide (CID 10003010) is 3-[[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 3-[[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 3-[[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)c2cncn2Cc2cc(-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)imidazole-4-carboxamide?
The InChIKey is DUHWJKMRMPOBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-13(2)25-7-5-14(6-8-25)23-20(27)16-10-22-12-26(16)11-15-9-17(28-24-15)18-3-4-19(21)29-18/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,23,27).
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)imidazole-4-carboxamide?
3-[[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 3-[[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 10003010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).