(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine

C20H19N3O — CID 10639199

IUPAC(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine
SMILESCC1(C)COC(/C(=C2\N=C(N)c3ccccc32)c2ccccc2)=N1
InChIInChI=1S/C20H19N3O/c1-20(2)12-24-19(23-20)16(13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)18(21)22-17/h3-11H,12H2,1-2H3,(H2,21,22)/b17-16-
InChIKeyHHMJXHZRZNVBAZ-MSUUIHNZSA-N
MW317.39 g/mol
LogP3.48
Rot. Bonds2

About (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine

(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine (PubChem CID 10639199) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine
PubChem CID10639199
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine
SMILESCC1(C)COC(/C(=C2\N=C(N)c3ccccc32)c2ccccc2)=N1
InChIInChI=1S/C20H19N3O/c1-20(2)12-24-19(23-20)16(13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)18(21)22-17/h3-11H,12H2,1-2H3,(H2,21,22)/b17-16-
InChIKeyHHMJXHZRZNVBAZ-MSUUIHNZSA-N
XLogP3.48
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
CID 11044595
[3-[(3-Methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
CID 101540746
5-But-oxy-3,4-diphenyl-2h-pyrrol-2-imine
CID 129739127
N'-(2-phenylmethoxyethyl)benzenecarboximidamide
CID 85862388
4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole
CID 102579765
3-Methoxy-3-octylisoindol-1-amine
CID 149845805
3-Heptyl-3-methoxyisoindol-1-amine
CID 149866108
3-Ethoxy-3-heptylisoindol-1-amine
CID 150775077
3-Ethoxy-3-octylisoindol-1-amine
CID 151779223
3-Ethoxy-3-pentylisoindol-1-amine
CID 151906550
(3Z,8E,10Z)-2,2-dimethyl-6-phenyl-7-oxa-5-azatricyclo[10.4.0.04,8]hexadeca-1(16),3,5,8,10,12,14-heptaen-11-amine
CID 155226477
3-Ethoxy-1-methyl-1-phenylisoindole;methane;3-methyl-3-phenylisoindol-1-amine
CID 160052074

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine?
The IUPAC name of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine (CID 10639199) is (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine.
What is the SMILES notation for (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine?
The canonical SMILES for (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine is CC1(C)COC(/C(=C2\N=C(N)c3ccccc32)c2ccccc2)=N1.
What is the InChIKey of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine?
The InChIKey is HHMJXHZRZNVBAZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H19N3O/c1-20(2)12-24-19(23-20)16(13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)18(21)22-17/h3-11H,12H2,1-2H3,(H2,21,22)/b17-16-.
What are the key properties of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine?
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine has a molecular weight of 317.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine is sourced from PubChem (CID 10639199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).