2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine

C12H12N2O — CID 10584189

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine
SMILESNC1=C(C2=NCCO2)Cc2ccccc21
InChIInChI=1S/C12H12N2O/c13-11-9-4-2-1-3-8(9)7-10(11)12-14-5-6-15-12/h1-4H,5-7,13H2
InChIKeyIPTLOMVUFZTCLU-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.34
Rot. Bonds1

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine

2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine (PubChem CID 10584189) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine
PubChem CID10584189
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine
SMILESNC1=C(C2=NCCO2)Cc2ccccc21
InChIInChI=1S/C12H12N2O/c13-11-9-4-2-1-3-8(9)7-10(11)12-14-5-6-15-12/h1-4H,5-7,13H2
InChIKeyIPTLOMVUFZTCLU-UHFFFAOYSA-N
XLogP1.34
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Aminomethyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine
CID 21618915
4-(2-Ethenylphenyl)-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
CID 68521449
[2-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]methanamine
CID 84655556
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716121
(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
(3Z)-3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methylidene]isoindol-1-amine
CID 10681570
2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine
CID 10853146
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine
CID 10910950
(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)pent-1-en-1-amine
CID 15421816
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine
CID 15421817

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine (CID 10584189) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine is NC1=C(C2=NCCO2)Cc2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine?
The InChIKey is IPTLOMVUFZTCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-9-4-2-1-3-8(9)7-10(11)12-14-5-6-15-12/h1-4H,5-7,13H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine?
2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine has a molecular weight of 200.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3H-inden-1-amine is sourced from PubChem (CID 10584189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).