4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide

C21H25N3O3 — CID 109151153

IUPAC4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)N3c4ccccc4CC3C)CC2)no1
InChIInChI=1S/C21H25N3O3/c1-13-11-17-5-3-4-6-18(17)24(13)21(26)16-9-7-15(8-10-16)20(25)22-19-12-14(2)27-23-19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,22,23,25)
InChIKeyBMBLAARXCUWUHC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.71
Rot. Bonds3

About 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide

4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 109151153) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
PubChem CID109151153
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)N3c4ccccc4CC3C)CC2)no1
InChIInChI=1S/C21H25N3O3/c1-13-11-17-5-3-4-6-18(17)24(13)21(26)16-9-7-15(8-10-16)20(25)22-19-12-14(2)27-23-19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,22,23,25)
InChIKeyBMBLAARXCUWUHC-UHFFFAOYSA-N
XLogP3.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 42922545
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466759
1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 56562758
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466660
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide
CID 55638263

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide (CID 109151153) is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCC(C(=O)N3c4ccccc4CC3C)CC2)no1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is BMBLAARXCUWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-11-17-5-3-4-6-18(17)24(13)21(26)16-9-7-15(8-10-16)20(25)22-19-12-14(2)27-23-19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide?
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109151153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).