4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C21H23N3O2 — CID 125445329

IUPAC4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc2c1c(-c1ccc(C(=O)NC[C@@H]3CCCO3)cc1)nn2C
InChIInChI=1S/C21H23N3O2/c1-14-5-3-7-18-19(14)20(23-24(18)2)15-8-10-16(11-9-15)21(25)22-13-17-6-4-12-26-17/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyVHKQNXHUYHFDRE-KRWDZBQOSA-N
MW349.43 g/mol
LogP3.46
Rot. Bonds4

About 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 125445329) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID125445329
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc2c1c(-c1ccc(C(=O)NC[C@@H]3CCCO3)cc1)nn2C
InChIInChI=1S/C21H23N3O2/c1-14-5-3-7-18-19(14)20(23-24(18)2)15-8-10-16(11-9-15)21(25)22-13-17-6-4-12-26-17/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyVHKQNXHUYHFDRE-KRWDZBQOSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125435112
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 125445329) is 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cccc2c1c(-c1ccc(C(=O)NC[C@@H]3CCCO3)cc1)nn2C.
What is the InChIKey of 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VHKQNXHUYHFDRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-5-3-7-18-19(14)20(23-24(18)2)15-8-10-16(11-9-15)21(25)22-13-17-6-4-12-26-17/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 125445329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).