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

C27H31ClN4O2S — CID 142244506

IUPAC1-[2-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]ethyl]-7-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CCc3cc(-c4ccc(Cl)s4)on3)c12
InChIInChI=1S/C27H31ClN4O2S/c1-17(2)31-12-9-20(10-13-31)29-27(33)22-15-19-6-4-5-18(3)26(19)32(22)14-11-21-16-23(34-30-21)24-7-8-25(28)35-24/h4-8,15-17,20H,9-14H2,1-3H3,(H,29,33)
InChIKeyZROHNCMWVGKUAF-UHFFFAOYSA-N
MW511.09 g/mol
LogP6.16
Rot. Bonds7

About 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

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 (PubChem CID 142244506) has the molecular formula C27H31ClN4O2S and a molecular weight of 511.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]ethyl]-7-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID142244506
Molecular FormulaC27H31ClN4O2S
Molecular Weight511.09 g/mol
Exact Mass510.19
IUPAC Name1-[2-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]ethyl]-7-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CCc3cc(-c4ccc(Cl)s4)on3)c12
InChIInChI=1S/C27H31ClN4O2S/c1-17(2)31-12-9-20(10-13-31)29-27(33)22-15-19-6-4-5-18(3)26(19)32(22)14-11-21-16-23(34-30-21)24-7-8-25(28)35-24/h4-8,15-17,20H,9-14H2,1-3H3,(H,29,33)
InChIKeyZROHNCMWVGKUAF-UHFFFAOYSA-N
XLogP6.16
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.09
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309447
2-[[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-7-methylindole-2-carbonyl]-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 20801168
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[1-(2-methylpropyl)piperidin-4-yl]indole-2-carboxamide
CID 20801125
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
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
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
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
2-hydroxyethyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate
CID 67012776
2-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carbonyl]oxyacetic acid
CID 67012662
N-[1-(2-chloropyrimidin-1-ium-4-yl)piperidin-4-yl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide
CID 142244578

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CCc3cc(-c4ccc(Cl)s4)on3)c12.
What is the InChIKey of 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?
The InChIKey is ZROHNCMWVGKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2S/c1-17(2)31-12-9-20(10-13-31)29-27(33)22-15-19-6-4-5-18(3)26(19)32(22)14-11-21-16-23(34-30-21)24-7-8-25(28)35-24/h4-8,15-17,20H,9-14H2,1-3H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 511.09 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142244506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).