(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine

C17H19FN2O — CID 89011069

IUPAC(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine
SMILESC=CCC(C)/C(=C(/N)c1ccc(F)cc1)N1C=COC1=C
InChIInChI=1S/C17H19FN2O/c1-4-5-12(2)17(20-10-11-21-13(20)3)16(19)14-6-8-15(18)9-7-14/h4,6-12H,1,3,5,19H2,2H3/b17-16-
InChIKeyGIWOXBZUUAUCAM-MSUUIHNZSA-N
MW286.35 g/mol
LogP3.94
Rot. Bonds5

About (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine

(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine (PubChem CID 89011069) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine
PubChem CID89011069
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine
SMILESC=CCC(C)/C(=C(/N)c1ccc(F)cc1)N1C=COC1=C
InChIInChI=1S/C17H19FN2O/c1-4-5-12(2)17(20-10-11-21-13(20)3)16(19)14-6-8-15(18)9-7-14/h4,6-12H,1,3,5,19H2,2H3/b17-16-
InChIKeyGIWOXBZUUAUCAM-MSUUIHNZSA-N
XLogP3.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
(1Z,3E,4Z)-3-(2-bromoprop-2-enylidene)-2-N-ethenyl-1-(4-fluorophenyl)-2-N-methylpenta-1,4-diene-1,2,5-triamine
CID 87945965
(1Z,3Z)-1-(4-fluorophenyl)-2-(2-methyl-2H-1,3-oxazol-3-yl)-5-prop-1-en-2-yliminopenta-1,3-diene-1,3-diamine
CID 88884998
6-(4-fluorophenyl)-5-[(2E)-penta-2,4-dien-2-yl]-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
CID 88885004
3-[(1E,3E)-1-(4-fluorophenyl)-3-methylhexa-1,3,5-trien-2-yl]-2-methylidene-1,3-oxazole
CID 88885035
(1Z,3E)-1-(4-fluorophenyl)-3-methyl-2-N-[1-[(Z)-prop-1-enoxy]ethyl]hexa-1,3-diene-1,2-diamine
CID 88885052
4-(2,5-difluorophenyl)-3-propan-2-yl-2H-1,3-oxazole
CID 91192911
3-(4-fluorophenyl)-4-[(1S)-1-phenylethyl]-1,4-oxazine
CID 140407773
N-[(4-fluorophenyl)methyl]-4-methoxy-N-pentylcyclohexa-1,3-dien-1-amine
CID 142550109
1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine
CID 143605300
(Z)-N'-[(E)-but-2-en-2-yl]-1-(4-fluorophenyl)-N,N'-dimethylethene-1,2-diamine
CID 143932111
N-[(4-fluorophenyl)methyl]-1-propoxyethenamine
CID 144589477

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine (CID 89011069) is (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine is C=CCC(C)/C(=C(/N)c1ccc(F)cc1)N1C=COC1=C.
What is the InChIKey of (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine?
The InChIKey is GIWOXBZUUAUCAM-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-4-5-12(2)17(20-10-11-21-13(20)3)16(19)14-6-8-15(18)9-7-14/h4,6-12H,1,3,5,19H2,2H3/b17-16-.
What are the key properties of (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine?
(1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine has a molecular weight of 286.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-fluorophenyl)-3-methyl-2-(2-methylidene-1,3-oxazol-3-yl)hexa-1,5-dien-1-amine is sourced from PubChem (CID 89011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).