N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H21F2N5O2 — CID 75391271

IUPACN-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1
InChIInChI=1S/C15H21F2N5O2/c1-8(2)7-22-11(12(16)17)10(6-18-22)13-19-14(21-24-13)15(4,5)20-9(3)23/h6,8,12H,7H2,1-5H3,(H,20,23)
InChIKeyUBUCIPVKTQCZQV-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.90
Rot. Bonds6

About N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 75391271) has the molecular formula C15H21F2N5O2 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID75391271
Molecular FormulaC15H21F2N5O2
Molecular Weight341.36 g/mol
Exact Mass341.17
IUPAC NameN-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1
InChIInChI=1S/C15H21F2N5O2/c1-8(2)7-22-11(12(16)17)10(6-18-22)13-19-14(21-24-13)15(4,5)20-9(3)23/h6,8,12H,7H2,1-5H3,(H,20,23)
InChIKeyUBUCIPVKTQCZQV-UHFFFAOYSA-N
XLogP2.90
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 75391272
CID 75391272
CID 97345758
CID 97345758
CID 124217652
CID 124217652
CID 137956006
CID 137956006
CID 164629882
CID 164629882
CID 75391143
CID 75391143
CID 134355002
CID 134355002
CID 141290031
CID 141290031
CID 142305383
CID 142305383
CID 155681871
CID 155681871
CID 155681935
CID 155681935
CID 155681998
CID 155681998

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 75391271) is N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1.
What is the InChIKey of N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is UBUCIPVKTQCZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O2/c1-8(2)7-22-11(12(16)17)10(6-18-22)13-19-14(21-24-13)15(4,5)20-9(3)23/h6,8,12H,7H2,1-5H3,(H,20,23).
What are the key properties of N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 341.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 75391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).