3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide

C22H24N2O3 — CID 126452642

IUPAC3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCCc1nc2cc(-c3cccc(C(=O)NCC[C@@H]4CCOC4)c3)ccc2o1
InChIInChI=1S/C22H24N2O3/c1-2-21-24-19-13-17(6-7-20(19)27-21)16-4-3-5-18(12-16)22(25)23-10-8-15-9-11-26-14-15/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOWMGDHKOTFBIHF-OAHLLOKOSA-N
MW364.45 g/mol
LogP4.21
Rot. Bonds6

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

3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide (PubChem CID 126452642) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
PubChem CID126452642
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCCc1nc2cc(-c3cccc(C(=O)NCC[C@@H]4CCOC4)c3)ccc2o1
InChIInChI=1S/C22H24N2O3/c1-2-21-24-19-13-17(6-7-20(19)27-21)16-4-3-5-18(12-16)22(25)23-10-8-15-9-11-26-14-15/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOWMGDHKOTFBIHF-OAHLLOKOSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.21
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
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125444929
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
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide (CID 126452642) is 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide is CCc1nc2cc(-c3cccc(C(=O)NCC[C@@H]4CCOC4)c3)ccc2o1.
What is the InChIKey of 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is OWMGDHKOTFBIHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-21-24-19-13-17(6-7-20(19)27-21)16-4-3-5-18(12-16)22(25)23-10-8-15-9-11-26-14-15/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 126452642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).