5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide

C26H31N3O4 — CID 67615125

IUPAC5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide
SMILESNC(=O)CCCC(OC1CCCCC1)N1C=COC1c1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C26H31N3O4/c27-23(30)9-4-10-24(33-22-7-2-1-3-8-22)29-16-17-32-26(29)20-13-11-19(12-14-20)25(31)21-6-5-15-28-18-21/h5-6,11-18,22,24,26H,1-4,7-10H2,(H2,27,30)
InChIKeyRJLIOJDPJNAEJN-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.45
Rot. Bonds10

About 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide

5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide (PubChem CID 67615125) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide
PubChem CID67615125
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide
SMILESNC(=O)CCCC(OC1CCCCC1)N1C=COC1c1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C26H31N3O4/c27-23(30)9-4-10-24(33-22-7-2-1-3-8-22)29-16-17-32-26(29)20-13-11-19(12-14-20)25(31)21-6-5-15-28-18-21/h5-6,11-18,22,24,26H,1-4,7-10H2,(H2,27,30)
InChIKeyRJLIOJDPJNAEJN-UHFFFAOYSA-N
XLogP4.45
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide?
The IUPAC name of 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide (CID 67615125) is 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide.
What is the SMILES notation for 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide?
The canonical SMILES for 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide is NC(=O)CCCC(OC1CCCCC1)N1C=COC1c1ccc(C(=O)c2cccnc2)cc1.
What is the InChIKey of 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide?
The InChIKey is RJLIOJDPJNAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c27-23(30)9-4-10-24(33-22-7-2-1-3-8-22)29-16-17-32-26(29)20-13-11-19(12-14-20)25(31)21-6-5-15-28-18-21/h5-6,11-18,22,24,26H,1-4,7-10H2,(H2,27,30).
What are the key properties of 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide?
5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide has a molecular weight of 449.55 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-5-[2-[4-(pyridine-3-carbonyl)phenyl]-2H-1,3-oxazol-3-yl]pentanamide is sourced from PubChem (CID 67615125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).