(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide

C13H18FN3O2 — CID 68974189

IUPAC(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide
SMILESCN(C)C(=O)/C(F)=C/c1cncn1C1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-16(2)13(18)12(14)7-11-8-15-9-17(11)10-3-5-19-6-4-10/h7-10H,3-6H2,1-2H3/b12-7-
InChIKeyWBSPTVIGNLNIBQ-GHXNOFRVSA-N
MW267.30 g/mol
LogP1.63
Rot. Bonds3

About (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide

(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide (PubChem CID 68974189) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide
PubChem CID68974189
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide
SMILESCN(C)C(=O)/C(F)=C/c1cncn1C1CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-16(2)13(18)12(14)7-11-8-15-9-17(11)10-3-5-19-6-4-10/h7-10H,3-6H2,1-2H3/b12-7-
InChIKeyWBSPTVIGNLNIBQ-GHXNOFRVSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N,N-dimethyl-3-(2-methyl-3-propan-2-ylimidazol-4-yl)prop-2-enamide
CID 66640194
(E)-3-[2-(difluoromethyl)-3-ethylimidazol-4-yl]-N,N-dimethylprop-2-enamide
CID 67037327
(E)-3-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]-N,N-dimethylprop-2-enamide
CID 67037377
3-[2-(difluoromethyl)-3-ethylimidazol-4-yl]-N,N-dimethylprop-2-enamide
CID 69369104
3-[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]-N,N-dimethylprop-2-enamide
CID 77249990
2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide
CID 77582819
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-bis(2,2,2-trifluoroethyl)prop-2-enamide
CID 87407947
(Z)-2-fluoro-3-(1H-imidazol-5-yl)-1-[(3R)-3-methylmorpholin-4-yl]prop-2-en-1-one
CID 167793143
(2E)-4-methyl-2-[(1-propylimidazol-4-yl)methylidene]morpholin-3-one
CID 21303386
(E)-N-methoxy-N-methyl-3-(1-methylimidazol-4-yl)prop-2-enamide
CID 59975194
ethyl (E)-3-(1-propan-2-ylimidazol-4-yl)prop-2-enoate
CID 60020663
(2Z)-4-methyl-2-[(1-propylimidazol-4-yl)methylidene]morpholin-3-one
CID 60073952

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide (CID 68974189) is (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide is CN(C)C(=O)/C(F)=C/c1cncn1C1CCOCC1.
What is the InChIKey of (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide?
The InChIKey is WBSPTVIGNLNIBQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-16(2)13(18)12(14)7-11-8-15-9-17(11)10-3-5-19-6-4-10/h7-10H,3-6H2,1-2H3/b12-7-.
What are the key properties of (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide?
(Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide has a molecular weight of 267.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N,N-dimethyl-3-[3-(oxan-4-yl)imidazol-4-yl]prop-2-enamide is sourced from PubChem (CID 68974189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).