4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C23H33N3O4 — CID 24817638

IUPAC4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27)
InChIKeyIRQYACHFLTWGHT-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.99
Rot. Bonds8

About 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24817638) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24817638
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27)
InChIKeyIRQYACHFLTWGHT-UHFFFAOYSA-N
XLogP3.99
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide
CID 70679283
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
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
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347989
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1251518
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2466837
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2477230
5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazole-3-carboxamide
CID 3236665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24817638) is 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is IRQYACHFLTWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27).
What are the key properties of 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 415.53 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24817638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).