(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

C22H16N2O5 — CID 11921561

IUPAC(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1
InChIInChI=1S/C22H16N2O5/c1-27-14-10-8-13(9-11-14)19-18(20(25)17-7-4-12-28-17)22(29-24-19)15-5-2-3-6-16(15)23-21(22)26/h2-12,18H,1H3,(H,23,26)/t18-,22+/m1/s1
InChIKeyMXRIOGCURGXPQZ-GCJKJVERSA-N
MW388.38 g/mol
LogP3.37
Rot. Bonds4

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

(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (PubChem CID 11921561) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.

Molecular Properties

Compound Name(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
PubChem CID11921561
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
SMILESCOc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1
InChIInChI=1S/C22H16N2O5/c1-27-14-10-8-13(9-11-14)19-18(20(25)17-7-4-12-28-17)22(29-24-19)15-5-2-3-6-16(15)23-21(22)26/h2-12,18H,1H3,(H,23,26)/t18-,22+/m1/s1
InChIKeyMXRIOGCURGXPQZ-GCJKJVERSA-N
XLogP3.37
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The IUPAC name of (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one (CID 11921561) is (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one.
What is the SMILES notation for (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The canonical SMILES for (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1.
What is the InChIKey of (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
The InChIKey is MXRIOGCURGXPQZ-GCJKJVERSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-27-14-10-8-13(9-11-14)19-18(20(25)17-7-4-12-28-17)22(29-24-19)15-5-2-3-6-16(15)23-21(22)26/h2-12,18H,1H3,(H,23,26)/t18-,22+/m1/s1.
What are the key properties of (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one?
(3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one has a molecular weight of 388.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S)-4'-(furan-2-carbonyl)-3'-(4-methoxyphenyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one is sourced from PubChem (CID 11921561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).