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

C19H16N4O2 — CID 155316605

IUPAC(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C19H16N4O2/c1-11-10-25-19(24)23(11)13-6-7-16-14(9-13)18(22-21-16)17-8-12-4-2-3-5-15(12)20-17/h2-9,11,20H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyYZZXVCUKJUUYAY-NSHDSACASA-N
MW332.36 g/mol
LogP4.06
Rot. Bonds2

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

(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 155316605) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID155316605
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C19H16N4O2/c1-11-10-25-19(24)23(11)13-6-7-16-14(9-13)18(22-21-16)17-8-12-4-2-3-5-15(12)20-17/h2-9,11,20H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyYZZXVCUKJUUYAY-NSHDSACASA-N
XLogP4.06
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one (CID 155316605) is (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1c1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is YZZXVCUKJUUYAY-NSHDSACASA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-10-25-19(24)23(11)13-6-7-16-14(9-13)18(22-21-16)17-8-12-4-2-3-5-15(12)20-17/h2-9,11,20H,10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 332.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155316605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).