(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine

C12H11N3O — CID 10680089

IUPAC(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine
SMILESNC1=N/C(=C\C2=NCCO2)c2ccccc21
InChIInChI=1S/C12H11N3O/c13-12-9-4-2-1-3-8(9)10(15-12)7-11-14-5-6-16-11/h1-4,7H,5-6H2,(H2,13,15)/b10-7-
InChIKeyTUENGQZZAFNTOA-YFHOEESVSA-N
MW213.24 g/mol
LogP1.18
Rot. Bonds1

About (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine

(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine (PubChem CID 10680089) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine.

Molecular Properties

Compound Name(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine
PubChem CID10680089
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine
SMILESNC1=N/C(=C\C2=NCCO2)c2ccccc21
InChIInChI=1S/C12H11N3O/c13-12-9-4-2-1-3-8(9)10(15-12)7-11-14-5-6-16-11/h1-4,7H,5-6H2,(H2,13,15)/b10-7-
InChIKeyTUENGQZZAFNTOA-YFHOEESVSA-N
XLogP1.18
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
ethyl (2Z)-2-(3-aminoisoindol-1-ylidene)acetate
CID 12139901
2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine
CID 10584189
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)-phenylmethylidene]isoindol-1-amine
CID 10639199
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
CID 10681570
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
CID 15421786
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 15421787
N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
CID 63182135
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine
CID 100953103
(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
CID 177594357

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine?
The IUPAC name of (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine (CID 10680089) is (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine.
What is the SMILES notation for (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine?
The canonical SMILES for (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine is NC1=N/C(=C\C2=NCCO2)c2ccccc21.
What is the InChIKey of (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine?
The InChIKey is TUENGQZZAFNTOA-YFHOEESVSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12-9-4-2-1-3-8(9)10(15-12)7-11-14-5-6-16-11/h1-4,7H,5-6H2,(H2,13,15)/b10-7-.
What are the key properties of (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine?
(3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine has a molecular weight of 213.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine is sourced from PubChem (CID 10680089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).