3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole

C21H31N5O — CID 135136527

IUPAC3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)(C)c1cc(CC(C)(C)c2cnc(CC(C)(C)c3ccn[nH]3)[nH]2)on1
InChIInChI=1S/C21H31N5O/c1-19(2,3)16-10-14(27-26-16)11-20(4,5)17-13-22-18(24-17)12-21(6,7)15-8-9-23-25-15/h8-10,13H,11-12H2,1-7H3,(H,22,24)(H,23,25)
InChIKeyCFVQHVFTSRSBCX-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.46
Rot. Bonds6

About 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole

3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole (PubChem CID 135136527) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole
PubChem CID135136527
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole
SMILESCC(C)(C)c1cc(CC(C)(C)c2cnc(CC(C)(C)c3ccn[nH]3)[nH]2)on1
InChIInChI=1S/C21H31N5O/c1-19(2,3)16-10-14(27-26-16)11-20(4,5)17-13-22-18(24-17)12-21(6,7)15-8-9-23-25-15/h8-10,13H,11-12H2,1-7H3,(H,22,24)(H,23,25)
InChIKeyCFVQHVFTSRSBCX-UHFFFAOYSA-N
XLogP4.46
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole 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 135216985
CID 135216985
CID 157797012
CID 157797012
CID 157837935
CID 157837935
CID 175419490
CID 175419490
CID 56879334
CID 56879334
CID 56887822
CID 56887822
CID 56897717
CID 56897717
CID 70706005
CID 70706005
CID 70736968
CID 70736968
CID 70747913
CID 70747913
CID 95558639
CID 95558639
CID 95558640
CID 95558640

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole (CID 135136527) is 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole is CC(C)(C)c1cc(CC(C)(C)c2cnc(CC(C)(C)c3ccn[nH]3)[nH]2)on1.
What is the InChIKey of 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole?
The InChIKey is CFVQHVFTSRSBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-19(2,3)16-10-14(27-26-16)11-20(4,5)17-13-22-18(24-17)12-21(6,7)15-8-9-23-25-15/h8-10,13H,11-12H2,1-7H3,(H,22,24)(H,23,25).
What are the key properties of 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole?
3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole has a molecular weight of 369.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 135136527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).