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

C22H24ClN3O2S — CID 16896214

IUPAC3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H24ClN3O2S/c1-15-20(21(25-28-15)18-6-2-3-7-19(18)23)22(27)24-13-16-8-10-26(11-9-16)14-17-5-4-12-29-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyIDUVQKVDAVMGKZ-UHFFFAOYSA-N
MW429.97 g/mol
LogP5.01
Rot. Bonds6

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

3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 16896214) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID16896214
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H24ClN3O2S/c1-15-20(21(25-28-15)18-6-2-3-7-19(18)23)22(27)24-13-16-8-10-26(11-9-16)14-17-5-4-12-29-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyIDUVQKVDAVMGKZ-UHFFFAOYSA-N
XLogP5.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 90521451
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16919370
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122264336
3-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120948034
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (CID 16896214) is 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is IDUVQKVDAVMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-15-20(21(25-28-15)18-6-2-3-7-19(18)23)22(27)24-13-16-8-10-26(11-9-16)14-17-5-4-12-29-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 429.97 g/mol, XLogP of 5.01, 6 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-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).