1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H24N4O3S — CID 55951258

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)CCc3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H24N4O3S/c1-11-10-26-18(19-11)20-17(24)14-6-8-22(9-7-14)16(23)5-4-15-12(2)21-25-13(15)3/h10,14H,4-9H2,1-3H3,(H,19,20,24)
InChIKeyPZNLTFVCVVIJKF-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.87
Rot. Bonds5

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951258) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55951258
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)CCc3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H24N4O3S/c1-11-10-26-18(19-11)20-17(24)14-6-8-22(9-7-14)16(23)5-4-15-12(2)21-25-13(15)3/h10,14H,4-9H2,1-3H3,(H,19,20,24)
InChIKeyPZNLTFVCVVIJKF-UHFFFAOYSA-N
XLogP2.87
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951770
1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951627
1-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951781
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951258) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)CCc3c(C)noc3C)CC2)n1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PZNLTFVCVVIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-11-10-26-18(19-11)20-17(24)14-6-8-22(9-7-14)16(23)5-4-15-12(2)21-25-13(15)3/h10,14H,4-9H2,1-3H3,(H,19,20,24).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).