3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide

C26H26N4O2 — CID 55892038

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)o2)cc1
InChIInChI=1S/C26H26N4O2/c1-18-10-12-19(13-11-18)24-17-28-26(32-24)15-14-25(31)27-16-22-21-8-5-9-23(21)30(29-22)20-6-3-2-4-7-20/h2-4,6-7,10-13,17H,5,8-9,14-16H2,1H3,(H,27,31)
InChIKeyIAUSYXVFHGWJLQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.57
Rot. Bonds7

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide (PubChem CID 55892038) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
PubChem CID55892038
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)o2)cc1
InChIInChI=1S/C26H26N4O2/c1-18-10-12-19(13-11-18)24-17-28-26(32-24)15-14-25(31)27-16-22-21-8-5-9-23(21)30(29-22)20-6-3-2-4-7-20/h2-4,6-7,10-13,17H,5,8-9,14-16H2,1H3,(H,27,31)
InChIKeyIAUSYXVFHGWJLQ-UHFFFAOYSA-N
XLogP4.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide (CID 55892038) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
The InChIKey is IAUSYXVFHGWJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-10-12-19(13-11-18)24-17-28-26(32-24)15-14-25(31)27-16-22-21-8-5-9-23(21)30(29-22)20-6-3-2-4-7-20/h2-4,6-7,10-13,17H,5,8-9,14-16H2,1H3,(H,27,31).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 55892038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).