2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide

C26H29N3O4 — CID 10127481

IUPAC2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCC(C)C4)co3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-18-4-3-13-29(16-18)26(31)23-17-33-25(28-23)21-9-5-20(6-10-21)15-27-24(30)14-19-7-11-22(32-2)12-8-19/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,27,30)
InChIKeyRJHIRRXSLCUMJS-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.08
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide

2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (PubChem CID 10127481) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
PubChem CID10127481
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCC(C)C4)co3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-18-4-3-13-29(16-18)26(31)23-17-33-25(28-23)21-9-5-20(6-10-21)15-27-24(30)14-19-7-11-22(32-2)12-8-19/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,27,30)
InChIKeyRJHIRRXSLCUMJS-UHFFFAOYSA-N
XLogP4.08
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10238837
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
CID 10238050
2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 86903151
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
N-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 25451717
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (CID 10127481) is 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCC(C)C4)co3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is RJHIRRXSLCUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18-4-3-13-29(16-18)26(31)23-17-33-25(28-23)21-9-5-20(6-10-21)15-27-24(30)14-19-7-11-22(32-2)12-8-19/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10127481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).