(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C19H25N3O2 — CID 10592324

IUPAC(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN(C)C1CC(Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1
InChIInChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13?,15-,16?/m0/s1
InChIKeyOAEYRCBANJKSPM-SIWZUTFBSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds5

About (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 10592324) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID10592324
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN(C)C1CC(Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1
InChIInChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13?,15-,16?/m0/s1
InChIKeyOAEYRCBANJKSPM-SIWZUTFBSA-N
XLogP2.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Zolmitriptan
CID 60857
2-chloroethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate
CID 2827474
5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 10912152
5-Ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole
CID 10131024
(S)-4-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin-1-yl]-ethyl}-1H-indol-5-ylmethyl)-oxazolidin-2-one
CID 10252256
(S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-methyl]-pyrrolidin-1-yl}-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one
CID 11797644
5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44292375
1,1,8,11b-tetramethyl-5,6,11,11b-tetrahydro-1H-[1,3]oxazolo[3',4':1,2]pyrido[3,4-b]indol-3-one
CID 5295112
4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
CID 5731
3-(1H-Indol-3-yl)-2-isobutyrylamino-propionic acid methyl ester
CID 3111843
methyl 1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 3393239
(S)-4-(3-{3-[4-((R)-2-Hydroxy-1-phenyl-ethylamino)-piperidin-1-yl]-propyl}-1H-indol-5-ylmethyl)-oxazolidin-2-one
CID 10552573

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 10592324) is (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is CN(C)C1CC(Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1.
What is the InChIKey of (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is OAEYRCBANJKSPM-SIWZUTFBSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13?,15-,16?/m0/s1.
What are the key properties of (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
(4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-[[3-(dimethylamino)cyclobutyl]methyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10592324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).