5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C16H22N4O2S — CID 45170548

IUPAC5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCN(Cc3cnc(C)s3)C2)no1
InChIInChI=1S/C16H22N4O2S/c1-11-6-15(19-22-11)16(21)18-7-13-4-3-5-20(9-13)10-14-8-17-12(2)23-14/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,18,21)
InChIKeyCJJUIYCNKYBNQC-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.39
Rot. Bonds5

About 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 45170548) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID45170548
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCN(Cc3cnc(C)s3)C2)no1
InChIInChI=1S/C16H22N4O2S/c1-11-6-15(19-22-11)16(21)18-7-13-4-3-5-20(9-13)10-14-8-17-12(2)23-14/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,18,21)
InChIKeyCJJUIYCNKYBNQC-UHFFFAOYSA-N
XLogP2.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 45194598
5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271643
5-methyl-N-[[(3S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42190921
tert-butyl N-[[(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174485
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131910543
5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45172464
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 45170548) is 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCN(Cc3cnc(C)s3)C2)no1.
What is the InChIKey of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CJJUIYCNKYBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-6-15(19-22-11)16(21)18-7-13-4-3-5-20(9-13)10-14-8-17-12(2)23-14/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45170548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).