3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide

C23H23ClN4O3 — CID 90521451

IUPAC3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O3/c1-15-20(21(27-31-15)18-6-2-3-7-19(18)24)22(29)26-13-16-8-11-28(12-9-16)23(30)17-5-4-10-25-14-17/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,26,29)
InChIKeyQCVFGTDLABNBPU-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.98
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 90521451) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID90521451
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O3/c1-15-20(21(27-31-15)18-6-2-3-7-19(18)24)22(29)26-13-16-8-11-28(12-9-16)23(30)17-5-4-10-25-14-17/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,26,29)
InChIKeyQCVFGTDLABNBPU-UHFFFAOYSA-N
XLogP3.98
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 16896214
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16919370
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (CID 90521451) is 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is QCVFGTDLABNBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-15-20(21(27-31-15)18-6-2-3-7-19(18)24)22(29)26-13-16-8-11-28(12-9-16)23(30)17-5-4-10-25-14-17/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90521451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).