N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

C26H31N3O3 — CID 93222363

IUPACN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-20-11-9-10-16-29(20)26-23(24(27-32-26)21-12-5-3-6-13-21)19-28(17-18-31-2)25(30)22-14-7-4-8-15-22/h3-8,12-15,20H,9-11,16-19H2,1-2H3/t20-/m1/s1
InChIKeyATVALYHYQWJBRS-HXUWFJFHSA-N
MW433.55 g/mol
LogP5.01
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 93222363) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID93222363
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-20-11-9-10-16-29(20)26-23(24(27-32-26)21-12-5-3-6-13-21)19-28(17-18-31-2)25(30)22-14-7-4-8-15-22/h3-8,12-15,20H,9-11,16-19H2,1-2H3/t20-/m1/s1
InChIKeyATVALYHYQWJBRS-HXUWFJFHSA-N
XLogP5.01
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
CID 93222362
4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843741
N-[2-(dimethylamino)ethyl]-N-[[5-[(2S)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222414
N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
CID 46027892
N-(3-methoxypropyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 93222395
3-(4-fluorophenyl)-1-(2-methoxyethyl)-1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]thiourea
CID 46027968
2-methoxy-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 93222343
3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46027882
1-[2-(dimethylamino)ethyl]-1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-propan-2-ylurea
CID 46153504
N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996
N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028205
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 93222363) is N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is ATVALYHYQWJBRS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-20-11-9-10-16-29(20)26-23(24(27-32-26)21-12-5-3-6-13-21)19-28(17-18-31-2)25(30)22-14-7-4-8-15-22/h3-8,12-15,20H,9-11,16-19H2,1-2H3/t20-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 93222363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).