5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide

C27H34N4O2 — CID 44528373

IUPAC5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
SMILESC=C(C)C1CC=C(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1
InChIInChI=1S/C27H34N4O2/c1-18(2)21-6-4-20(5-7-21)16-30-12-11-24(17-30)31-13-10-22-15-23(8-9-26(22)31)28-27(32)25-14-19(3)33-29-25/h4,8-9,14-15,21,24H,1,5-7,10-13,16-17H2,2-3H3,(H,28,32)
InChIKeyZBXLGYOKYOJGEL-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.97
Rot. Bonds6

About 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 44528373) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID44528373
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
SMILESC=C(C)C1CC=C(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1
InChIInChI=1S/C27H34N4O2/c1-18(2)21-6-4-20(5-7-21)16-30-12-11-24(17-30)31-13-10-22-15-23(8-9-26(22)31)28-27(32)25-14-19(3)33-29-25/h4,8-9,14-15,21,24H,1,5-7,10-13,16-17H2,2-3H3,(H,28,32)
InChIKeyZBXLGYOKYOJGEL-UHFFFAOYSA-N
XLogP4.97
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 44528363
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
(3R)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
CID 95051289
N-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 55168760
(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
CID 95051290
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2812630
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
N-(4-bromo-3-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950980
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide (CID 44528373) is 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide is C=C(C)C1CC=C(CN2CCC(N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1.
What is the InChIKey of 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZBXLGYOKYOJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18(2)21-6-4-20(5-7-21)16-30-12-11-24(17-30)31-13-10-22-15-23(8-9-26(22)31)28-27(32)25-14-19(3)33-29-25/h4,8-9,14-15,21,24H,1,5-7,10-13,16-17H2,2-3H3,(H,28,32).
What are the key properties of 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).