(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one

C24H35NO3 — CID 44589369

IUPAC(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(=O)c1ncc(-c2ccco2)o1
InChIInChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26)24-25-20-23(28-24)22-18-16-19-27-22/h9-10,16,18-20H,2-8,11-15,17H2,1H3/b10-9-
InChIKeyYBDBSZNKNZTBRB-KTKRTIGZSA-N
MW385.55 g/mol
LogP7.76
Rot. Bonds16

About (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one

(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one (PubChem CID 44589369) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one.

Molecular Properties

Compound Name(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one
PubChem CID44589369
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC(=O)c1ncc(-c2ccco2)o1
InChIInChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26)24-25-20-23(28-24)22-18-16-19-27-22/h9-10,16,18-20H,2-8,11-15,17H2,1H3/b10-9-
InChIKeyYBDBSZNKNZTBRB-KTKRTIGZSA-N
XLogP7.76
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-thiophen-3-yl-1,3-oxazol-2-yl)octadec-9-en-1-one
CID 85429246
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
CID 11426192
1-(4-pyridin-3-yl-1,3-oxazol-2-yl)octadec-9-en-1-one
CID 68547196
1-(furan-2-yl)undecan-1-one
CID 15721327
(Z)-1-(2,6-dihydroxyphenyl)octadec-8-en-1-one
CID 10948772
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
(E,4Z)-4-(furan-2-ylmethylidene)docos-13-enoic acid
CID 59928970
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
4-octadec-9-enoylbenzaldehyde
CID 173082747
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
(E)-1-(1,3,4-thiadiazol-2-yl)octadec-9-en-1-one
CID 68541486

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one?
The IUPAC name of (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one (CID 44589369) is (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one.
What is the SMILES notation for (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one?
The canonical SMILES for (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one is CCCCCCCC/C=C\CCCCCCC(=O)c1ncc(-c2ccco2)o1.
What is the InChIKey of (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one?
The InChIKey is YBDBSZNKNZTBRB-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26)24-25-20-23(28-24)22-18-16-19-27-22/h9-10,16,18-20H,2-8,11-15,17H2,1H3/b10-9-.
What are the key properties of (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one?
(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one has a molecular weight of 385.55 g/mol, XLogP of 7.76, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one is sourced from PubChem (CID 44589369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).