2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H26N6O3 — CID 60541564

IUPAC2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)CC2)no1
InChIInChI=1S/C18H26N6O3/c1-12-9-15(22-27-12)19-16(25)11-23-5-7-24(8-6-23)17(26)13-10-14(21-20-13)18(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,20,21)(H,19,22,25)
InChIKeyDFVXSXWDMWBTPU-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.40
Rot. Bonds4

About 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 60541564) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID60541564
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)CC2)no1
InChIInChI=1S/C18H26N6O3/c1-12-9-15(22-27-12)19-16(25)11-23-5-7-24(8-6-23)17(26)13-10-14(21-20-13)18(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,20,21)(H,19,22,25)
InChIKeyDFVXSXWDMWBTPU-UHFFFAOYSA-N
XLogP1.40
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 46491584
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572905
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55791857
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 24608512
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 60541564) is 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)CC2)no1.
What is the InChIKey of 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DFVXSXWDMWBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-9-15(22-27-12)19-16(25)11-23-5-7-24(8-6-23)17(26)13-10-14(21-20-13)18(2,3)4/h9-10H,5-8,11H2,1-4H3,(H,20,21)(H,19,22,25).
What are the key properties of 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 374.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 60541564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).