N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide

C22H21N3O3 — CID 92882462

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1
InChIInChI=1S/C22H21N3O3/c26-22(23-15-19-7-4-14-27-19)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,26)/t19-/m0/s1
InChIKeyPXPGSGPBGJINJY-IBGZPJMESA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide (PubChem CID 92882462) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
PubChem CID92882462
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1
InChIInChI=1S/C22H21N3O3/c26-22(23-15-19-7-4-14-27-19)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,26)/t19-/m0/s1
InChIKeyPXPGSGPBGJINJY-IBGZPJMESA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide (CID 92882462) is N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide?
The InChIKey is PXPGSGPBGJINJY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-15-19-7-4-14-27-19)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 92882462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).