N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C22H23N3O2 — CID 38749303

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-15-18(16(2)27-24-15)11-12-22(26)23-19-8-4-6-10-21(19)25-14-13-17-7-3-5-9-20(17)25/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyIGGNVNCJSYFIMD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.56
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 38749303) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID38749303
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-15-18(16(2)27-24-15)11-12-22(26)23-19-8-4-6-10-21(19)25-14-13-17-7-3-5-9-20(17)25/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyIGGNVNCJSYFIMD-UHFFFAOYSA-N
XLogP4.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56801987
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 38748936
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 18132576
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33304130
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 43024851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 38749303) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is IGGNVNCJSYFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-18(16(2)27-24-15)11-12-22(26)23-19-8-4-6-10-21(19)25-14-13-17-7-3-5-9-20(17)25/h3-10H,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 38749303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).