2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine

C14H17N3O — CID 79238250

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCc1noc(C)c1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C14H17N3O/c1-9-12(10(2)18-16-9)7-17-6-11-4-3-5-14(15)13(11)8-17/h3-5H,6-8,15H2,1-2H3
InChIKeyUOKCIQJQVNHTFJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 79238250) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID79238250
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCc1noc(C)c1CN1Cc2cccc(N)c2C1
InChIInChI=1S/C14H17N3O/c1-9-12(10(2)18-16-9)7-17-6-11-4-3-5-14(15)13(11)8-17/h3-5H,6-8,15H2,1-2H3
InChIKeyUOKCIQJQVNHTFJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522540
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 106420818
3,5-dimethyl-4-[(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methyl]-1,2-oxazole
CID 97468882
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 64785940
4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97468936
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine (CID 79238250) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine is Cc1noc(C)c1CN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is UOKCIQJQVNHTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-12(10(2)18-16-9)7-17-6-11-4-3-5-14(15)13(11)8-17/h3-5H,6-8,15H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 79238250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).