4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

C29H22N2O6 — CID 46924740

IUPAC4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1cc(C2=NOC3(C(=O)Nc4ccccc43)C2C(=O)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C29H22N2O6/c1-34-24-16-19(13-14-22(24)36-17-18-8-3-2-4-9-18)26-25(27(32)23-12-7-15-35-23)29(37-31-26)20-10-5-6-11-21(20)30-28(29)33/h2-16,25H,17H2,1H3,(H,30,33)
InChIKeyJGETYXYFNQPKLS-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.95
Rot. Bonds7

About 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 46924740) has the molecular formula C29H22N2O6 and a molecular weight of 494.50 g/mol. Its IUPAC name is 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID46924740
Molecular FormulaC29H22N2O6
Molecular Weight494.50 g/mol
Exact Mass494.15
IUPAC Name4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1cc(C2=NOC3(C(=O)Nc4ccccc43)C2C(=O)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C29H22N2O6/c1-34-24-16-19(13-14-22(24)36-17-18-8-3-2-4-9-18)26-25(27(32)23-12-7-15-35-23)29(37-31-26)20-10-5-6-11-21(20)30-28(29)33/h2-16,25H,17H2,1H3,(H,30,33)
InChIKeyJGETYXYFNQPKLS-UHFFFAOYSA-N
XLogP4.95
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4'S)-3'-(2,5-dimethoxyphenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 40944335
(3S,4'R)-3'-(3,4-dimethoxyphenyl)-4'-(4-methoxybenzoyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 51553477
2-[2-[4'-(4-methylbenzoyl)-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-yl]phenoxy]acetonitrile
CID 44667073
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
(3S,4'R)-4'-(4-methoxyphenyl)-3'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 12981966
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 9472683

Frequently Asked Questions

What is the IUPAC name of 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 46924740) is 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is COc1cc(C2=NOC3(C(=O)Nc4ccccc43)C2C(=O)c2ccco2)ccc1OCc1ccccc1.
What is the InChIKey of 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is JGETYXYFNQPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O6/c1-34-24-16-19(13-14-22(24)36-17-18-8-3-2-4-9-18)26-25(27(32)23-12-7-15-35-23)29(37-31-26)20-10-5-6-11-21(20)30-28(29)33/h2-16,25H,17H2,1H3,(H,30,33).
What are the key properties of 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 494.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(furan-2-carbonyl)-3'-(3-methoxy-4-phenylmethoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 46924740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).