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

C19H30N6O2 — CID 60504087

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3cc(C)on3)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H30N6O2/c1-14-10-17(25(21-14)19(3,4)5)20-18(26)13-24-8-6-23(7-9-24)12-16-11-15(2)27-22-16/h10-11H,6-9,12-13H2,1-5H3,(H,20,26)
InChIKeyYCEORHBWVPUODN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.00
Rot. Bonds5

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

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 60504087) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID60504087
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3cc(C)on3)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H30N6O2/c1-14-10-17(25(21-14)19(3,4)5)20-18(26)13-24-8-6-23(7-9-24)12-16-11-15(2)27-22-16/h10-11H,6-9,12-13H2,1-5H3,(H,20,26)
InChIKeyYCEORHBWVPUODN-UHFFFAOYSA-N
XLogP2.00
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 9450248
N-(5-bromo-2-pyridinyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55469538
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504017
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019824
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47544876
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993855
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8994134

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 60504087) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(Cc3cc(C)on3)CC2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is YCEORHBWVPUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-14-10-17(25(21-14)19(3,4)5)20-18(26)13-24-8-6-23(7-9-24)12-16-11-15(2)27-22-16/h10-11H,6-9,12-13H2,1-5H3,(H,20,26).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).