3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

C22H25N3O2 — CID 125444929

IUPAC3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCc1ccc2c(c1)c(-c1cccc(C(=O)NCC[C@H]3CCOC3)c1)nn2C
InChIInChI=1S/C22H25N3O2/c1-15-6-7-20-19(12-15)21(24-25(20)2)17-4-3-5-18(13-17)22(26)23-10-8-16-9-11-27-14-16/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyWQMBBKGJEQQOMC-INIZCTEOSA-N
MW363.46 g/mol
LogP3.71
Rot. Bonds5

About 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (PubChem CID 125444929) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
PubChem CID125444929
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCc1ccc2c(c1)c(-c1cccc(C(=O)NCC[C@H]3CCOC3)c1)nn2C
InChIInChI=1S/C22H25N3O2/c1-15-6-7-20-19(12-15)21(24-25(20)2)17-4-3-5-18(13-17)22(26)23-10-8-16-9-11-27-14-16/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyWQMBBKGJEQQOMC-INIZCTEOSA-N
XLogP3.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126452642
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide
CID 122567008
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
CID 109386823
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (CID 125444929) is 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is Cc1ccc2c(c1)c(-c1cccc(C(=O)NCC[C@H]3CCOC3)c1)nn2C.
What is the InChIKey of 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is WQMBBKGJEQQOMC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-6-7-20-19(12-15)21(24-25(20)2)17-4-3-5-18(13-17)22(26)23-10-8-16-9-11-27-14-16/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 125444929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).