3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

C25H30N4O5 — CID 146524352

IUPAC3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCC(C)C1
InChIInChI=1S/C25H30N4O5/c1-14-3-4-16(11-14)21(28-22(30)18-13-34-29-15(18)2)23(31)26-17-5-6-19-20(12-17)27-24(32)25(19)7-9-33-10-8-25/h5-6,12-14,16,21H,3-4,7-11H2,1-2H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyDRBHXRLDCXQGSB-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.16
Rot. Bonds5

About 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 146524352) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID146524352
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCC(C)C1
InChIInChI=1S/C25H30N4O5/c1-14-3-4-16(11-14)21(28-22(30)18-13-34-29-15(18)2)23(31)26-17-5-6-19-20(12-17)27-24(32)25(19)7-9-33-10-8-25/h5-6,12-14,16,21H,3-4,7-11H2,1-2H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyDRBHXRLDCXQGSB-UHFFFAOYSA-N
XLogP3.16
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-(aminomethyl)-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 146576023
2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524623
N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
CID 146524617
6-[[2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetyl]amino]spiro[2H-indole-3,4'-oxane]-1-carboxylic acid
CID 166666284
ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
CID 146524632
2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524592
2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 146524666
(2S)-2-cyclohexyl-2-[(5-methyl-1,3-benzoxazol-2-yl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524571
1,2-oxazol-5-ylmethyl N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524411
2-cyclopropyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide
CID 146524408
N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 146524442
N-[1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 146575330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (CID 146524352) is 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NC(C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1)C1CCC(C)C1.
What is the InChIKey of 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DRBHXRLDCXQGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-14-3-4-16(11-14)21(28-22(30)18-13-34-29-15(18)2)23(31)26-17-5-6-19-20(12-17)27-24(32)25(19)7-9-33-10-8-25/h5-6,12-14,16,21H,3-4,7-11H2,1-2H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 146524352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).