N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide

C23H25N3O3 — CID 43049757

IUPACN-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4)CC3)co2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-21-9-7-18(8-10-21)23-25-20(16-29-23)15-26-13-11-19(12-14-26)24-22(27)17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,24,27)
InChIKeyXEVARIOYIYSCQD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.74
Rot. Bonds6

About N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide

N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 43049757) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
PubChem CID43049757
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4)CC3)co2)cc1
InChIInChI=1S/C23H25N3O3/c1-28-21-9-7-18(8-10-21)23-25-20(16-29-23)15-26-13-11-19(12-14-26)24-22(27)17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,24,27)
InChIKeyXEVARIOYIYSCQD-UHFFFAOYSA-N
XLogP3.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
CID 60512700
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide (CID 43049757) is N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide is COc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4)CC3)co2)cc1.
What is the InChIKey of N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is XEVARIOYIYSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-21-9-7-18(8-10-21)23-25-20(16-29-23)15-26-13-11-19(12-14-26)24-22(27)17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,24,27).
What are the key properties of N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 43049757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).