2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

C19H24N4O2 — CID 24793850

IUPAC2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2o1
InChIInChI=1S/C19H24N4O2/c1-4-5-6-18-21-16-11-14(7-8-17(16)25-18)19(24)20-10-9-15-12(2)22-23-13(15)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyVAGCVSJNGGAYFA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.48
Rot. Bonds7

About 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 24793850) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
PubChem CID24793850
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2o1
InChIInChI=1S/C19H24N4O2/c1-4-5-6-18-21-16-11-14(7-8-17(16)25-18)19(24)20-10-9-15-12(2)22-23-13(15)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyVAGCVSJNGGAYFA-UHFFFAOYSA-N
XLogP3.48
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (CID 24793850) is 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2o1.
What is the InChIKey of 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is VAGCVSJNGGAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-5-6-18-21-16-11-14(7-8-17(16)25-18)19(24)20-10-9-15-12(2)22-23-13(15)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24793850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).