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

C21H22N4O3S — CID 39701534

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)no1
InChIInChI=1S/C21H22N4O3S/c1-14-11-18(24-28-14)23-20(27)15-7-9-25(10-8-15)19(26)12-17-13-29-21(22-17)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3,(H,23,24,27)
InChIKeyYBFZSNQWIAPUPJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.53
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide (PubChem CID 39701534) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
PubChem CID39701534
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)no1
InChIInChI=1S/C21H22N4O3S/c1-14-11-18(24-28-14)23-20(27)15-7-9-25(10-8-15)19(26)12-17-13-29-21(22-17)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3,(H,23,24,27)
InChIKeyYBFZSNQWIAPUPJ-UHFFFAOYSA-N
XLogP3.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810082
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-4-carboxamide
CID 55519665
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 155494152
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide (CID 39701534) is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is YBFZSNQWIAPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-11-18(24-28-14)23-20(27)15-7-9-25(10-8-15)19(26)12-17-13-29-21(22-17)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3,(H,23,24,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 39701534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).