4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C24H26ClN3O3 — CID 19443427

IUPAC4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-17-20(16-30-22-8-4-3-7-21(22)25)23(27-31-17)24(29)26-19-11-9-18(10-12-19)15-28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,29)
InChIKeyPIDYQJVWUIQYKL-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.45
Rot. Bonds7

About 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443427) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID19443427
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-17-20(16-30-22-8-4-3-7-21(22)25)23(27-31-17)24(29)26-19-11-9-18(10-12-19)15-28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,29)
InChIKeyPIDYQJVWUIQYKL-UHFFFAOYSA-N
XLogP5.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443353
4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443404
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443449
4-[(2-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443497
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443444
[4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19443475
5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443022
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443330
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443431
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442899
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
4-[(2,3-dimethylphenoxy)methyl]-N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490449

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19443427) is 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PIDYQJVWUIQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-17-20(16-30-22-8-4-3-7-21(22)25)23(27-31-17)24(29)26-19-11-9-18(10-12-19)15-28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,29).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).