N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide

C27H26ClN3O2S — CID 67563074

IUPACN-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2Cc3ccccc3N2Cc2cc(-c3ccc(Cl)s3)on2)cc1
InChIInChI=1S/C27H26ClN3O2S/c1-27(2,3)18-8-10-19(11-9-18)29-26(32)22-14-17-6-4-5-7-21(17)31(22)16-20-15-23(33-30-20)24-12-13-25(28)34-24/h4-13,15,22H,14,16H2,1-3H3,(H,29,32)
InChIKeyAKJAVLNHIDPOHC-UHFFFAOYSA-N
MW492.04 g/mol
LogP6.92
Rot. Bonds5

About N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide

N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 67563074) has the molecular formula C27H26ClN3O2S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID67563074
Molecular FormulaC27H26ClN3O2S
Molecular Weight492.04 g/mol
Exact Mass491.14
IUPAC NameN-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2Cc3ccccc3N2Cc2cc(-c3ccc(Cl)s3)on2)cc1
InChIInChI=1S/C27H26ClN3O2S/c1-27(2,3)18-8-10-19(11-9-18)29-26(32)22-14-17-6-4-5-7-21(17)31(22)16-20-15-23(33-30-20)24-12-13-25(28)34-24/h4-13,15,22H,14,16H2,1-3H3,(H,29,32)
InChIKeyAKJAVLNHIDPOHC-UHFFFAOYSA-N
XLogP6.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.04
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
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tert-butyl 2-[(3,4-dichlorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214621
1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 154744740
1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138032837
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-fluoroindole-2-carboxylic acid
CID 22394421
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
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1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[1-(2-methylpropyl)piperidin-4-yl]indole-2-carboxamide
CID 20801125
5-(5-chlorothiophen-2-yl)-3-[(4-methylindol-1-yl)methyl]-1,2-oxazole
CID 141068860
2-(4-aminopiperidin-1-yl)-N-methylacetamide;1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
CID 172858933
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-(4-hydroxypiperidine-1-carbonyl)benzimidazole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide (CID 67563074) is N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide is CC(C)(C)c1ccc(NC(=O)C2Cc3ccccc3N2Cc2cc(-c3ccc(Cl)s3)on2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is AKJAVLNHIDPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2S/c1-27(2,3)18-8-10-19(11-9-18)29-26(32)22-14-17-6-4-5-7-21(17)31(22)16-20-15-23(33-30-20)24-12-13-25(28)34-24/h4-13,15,22H,14,16H2,1-3H3,(H,29,32).
What are the key properties of N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide?
N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 67563074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).