(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one

C17H13N5O3 — CID 717939

IUPAC(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N5O3/c23-15(11-4-3-5-12(8-11)22-10-18-20-21-22)9-17(25)13-6-1-2-7-14(13)19-16(17)24/h1-8,10,25H,9H2,(H,19,24)/t17-/m0/s1
InChIKeyRHSMCWQKNLRBTE-KRWDZBQOSA-N
MW335.32 g/mol
LogP1.08
Rot. Bonds4

About (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one

(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one (PubChem CID 717939) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one
PubChem CID717939
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N5O3/c23-15(11-4-3-5-12(8-11)22-10-18-20-21-22)9-17(25)13-6-1-2-7-14(13)19-16(17)24/h1-8,10,25H,9H2,(H,19,24)/t17-/m0/s1
InChIKeyRHSMCWQKNLRBTE-KRWDZBQOSA-N
XLogP1.08
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
CID 2134198
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3aR,7aS)-2-[3-[2-[(3R)-3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl]acetyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98157789
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 55366310
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
(3S)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 7012905

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one (CID 717939) is (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cnnn2)c1.
What is the InChIKey of (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one?
The InChIKey is RHSMCWQKNLRBTE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-15(11-4-3-5-12(8-11)22-10-18-20-21-22)9-17(25)13-6-1-2-7-14(13)19-16(17)24/h1-8,10,25H,9H2,(H,19,24)/t17-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one?
(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one has a molecular weight of 335.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one is sourced from PubChem (CID 717939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).