N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C21H21N3O3 — CID 94072580

IUPACN-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C21H21N3O3/c25-21(23-19-5-1-2-6-20(19)24-12-11-22-15-24)16-7-9-17(10-8-16)27-14-18-4-3-13-26-18/h1-2,5-12,15,18H,3-4,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyHJOSSHMXUONKSF-GOSISDBHSA-N
MW363.42 g/mol
LogP3.68
Rot. Bonds6

About N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 94072580) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID94072580
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C21H21N3O3/c25-21(23-19-5-1-2-6-20(19)24-12-11-22-15-24)16-7-9-17(10-8-16)27-14-18-4-3-13-26-18/h1-2,5-12,15,18H,3-4,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyHJOSSHMXUONKSF-GOSISDBHSA-N
XLogP3.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004359
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 24818204

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 94072580) is N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is O=C(Nc1ccccc1-n1ccnc1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is HJOSSHMXUONKSF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(23-19-5-1-2-6-20(19)24-12-11-22-15-24)16-7-9-17(10-8-16)27-14-18-4-3-13-26-18/h1-2,5-12,15,18H,3-4,13-14H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 94072580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).