2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol

C14H19F2NO2 — CID 142952129

IUPAC2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
SMILESC/C=C(\C=C/CC(F)F)c1nc(C(C)CO)c(C)o1
InChIInChI=1S/C14H19F2NO2/c1-4-11(6-5-7-12(15)16)14-17-13(9(2)8-18)10(3)19-14/h4-6,9,12,18H,7-8H2,1-3H3/b6-5-,11-4+
InChIKeyZGPZSTFEGDVHMO-VWXLBWAMSA-N
MW271.31 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol

2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol (PubChem CID 142952129) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
PubChem CID142952129
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
SMILESC/C=C(\C=C/CC(F)F)c1nc(C(C)CO)c(C)o1
InChIInChI=1S/C14H19F2NO2/c1-4-11(6-5-7-12(15)16)14-17-13(9(2)8-18)10(3)19-14/h4-6,9,12,18H,7-8H2,1-3H3/b6-5-,11-4+
InChIKeyZGPZSTFEGDVHMO-VWXLBWAMSA-N
XLogP3.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol (CID 142952129) is 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol is C/C=C(\C=C/CC(F)F)c1nc(C(C)CO)c(C)o1.
What is the InChIKey of 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol?
The InChIKey is ZGPZSTFEGDVHMO-VWXLBWAMSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-4-11(6-5-7-12(15)16)14-17-13(9(2)8-18)10(3)19-14/h4-6,9,12,18H,7-8H2,1-3H3/b6-5-,11-4+.
What are the key properties of 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol?
2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol is sourced from PubChem (CID 142952129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).