2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine

C20H19N5O — CID 156850491

IUPAC2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine
SMILESN#Cc1ccc2c(c1)CCC2.[H]/N=C(\c1cnoc1)c1cc(N)ccc1N
InChIInChI=1S/C10H10N4O.C10H9N/c11-7-1-2-9(12)8(3-7)10(13)6-4-14-15-5-6;11-7-8-4-5-9-2-1-3-10(9)6-8/h1-5,13H,11-12H2;4-6H,1-3H2/b13-10+;
InChIKeyQXYCPFJOXCBJCV-RSGUCCNWSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds2

About 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine

2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine (PubChem CID 156850491) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine
PubChem CID156850491
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine
SMILESN#Cc1ccc2c(c1)CCC2.[H]/N=C(\c1cnoc1)c1cc(N)ccc1N
InChIInChI=1S/C10H10N4O.C10H9N/c11-7-1-2-9(12)8(3-7)10(13)6-4-14-15-5-6;11-7-8-4-5-9-2-1-3-10(9)6-8/h1-5,13H,11-12H2;4-6H,1-3H2/b13-10+;
InChIKeyQXYCPFJOXCBJCV-RSGUCCNWSA-N
XLogP3.30
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
CID 156850812
2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166551350
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
1-[4-amino-N-methyl-3-(1,3-oxazole-5-carboximidoyl)anilino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156851052
2-(1,3-oxazole-5-carboximidoyl)benzene-1,4-diamine;2,2,4-trifluoro-1,3-dihydroindene-5-carbonitrile
CID 156850621
4-amino-3-[1-(difluoromethyl)pyrazole-4-carboximidoyl]phenol;4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile;molecular hydrogen;hydroiodide
CID 156850537
2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
CID 155482379
(5R,6R)-5-[4-amino-3-(1,3-oxazole-5-carboximidoyl)anilino]-6-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen;hydroiodide
CID 156851073
5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850980
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
3-[4-(2-aminobenzenecarboximidoyl)phenyl]benzonitrile
CID 118682362

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine?
The IUPAC name of 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine (CID 156850491) is 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine is N#Cc1ccc2c(c1)CCC2.[H]/N=C(\c1cnoc1)c1cc(N)ccc1N.
What is the InChIKey of 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine?
The InChIKey is QXYCPFJOXCBJCV-RSGUCCNWSA-N. The full InChI is InChI=1S/C10H10N4O.C10H9N/c11-7-1-2-9(12)8(3-7)10(13)6-4-14-15-5-6;11-7-8-4-5-9-2-1-3-10(9)6-8/h1-5,13H,11-12H2;4-6H,1-3H2/b13-10+;.
What are the key properties of 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine?
2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 156850491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).