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

C14H15N3O — CID 10681570

IUPAC(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
SMILESCC1(C)COC(/C=C2\N=C(N)c3ccccc32)=N1
InChIInChI=1S/C14H15N3O/c1-14(2)8-18-12(17-14)7-11-9-5-3-4-6-10(9)13(15)16-11/h3-7H,8H2,1-2H3,(H2,15,16)/b11-7-
InChIKeyXWNVGKIMOHPLJP-XFFZJAGNSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds1

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

(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine (PubChem CID 10681570) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
PubChem CID10681570
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
SMILESCC1(C)COC(/C=C2\N=C(N)c3ccccc32)=N1
InChIInChI=1S/C14H15N3O/c1-14(2)8-18-12(17-14)7-11-9-5-3-4-6-10(9)13(15)16-11/h3-7H,8H2,1-2H3,(H2,15,16)/b11-7-
InChIKeyXWNVGKIMOHPLJP-XFFZJAGNSA-N
XLogP1.95
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2Z)-2-(3-aminoisoindol-1-ylidene)acetate
CID 12139901
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 682847
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 5392309
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-(4,5-dihydro-1,3-oxazol-2-ylmethylidene)isoindol-1-amine
CID 10680089

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine?
The IUPAC name of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine (CID 10681570) is (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine.
What is the SMILES notation for (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine?
The canonical SMILES for (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine is CC1(C)COC(/C=C2\N=C(N)c3ccccc32)=N1.
What is the InChIKey of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine?
The InChIKey is XWNVGKIMOHPLJP-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)8-18-12(17-14)7-11-9-5-3-4-6-10(9)13(15)16-11/h3-7H,8H2,1-2H3,(H2,15,16)/b11-7-.
What are the key properties of (3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine?
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine has a molecular weight of 241.29 g/mol, XLogP of 1.95, 1 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)methylidene]isoindol-1-amine is sourced from PubChem (CID 10681570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).