4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

C21H29N3O4 — CID 70679283

IUPAC4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C)CC1
InChIInChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
InChIKeyWBLVOWHFRUAMCP-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.21
Rot. Bonds7

About 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 70679283) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID70679283
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C)CC1
InChIInChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
InChIKeyWBLVOWHFRUAMCP-UHFFFAOYSA-N
XLogP3.21
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]propoxy]-3-methoxybenzamide
CID 10455211
N-((3-Isopropylisoxazol-5-yl)methyl)-3-((1-isopropylpiperidin-4-yl)oxy)-4-methoxybenzamide
CID 24817638
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
4-({5-[(2,5-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)morpholine
CID 24790673
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 16009106
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677655
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
N,N-dimethyl-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxybenzamide
CID 10049666
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347989

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 70679283) is 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C)CC1.
What is the InChIKey of 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is WBLVOWHFRUAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25).
What are the key properties of 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide?
4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 70679283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).