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

C13H14N2O — CID 116832476

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)CCC3)co1
InChIInChI=1S/C13H14N2O/c1-14-13-15-12(8-16-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyNVZKUEKGCLPQKQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.87
Rot. Bonds2

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

4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832476) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832476
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)CCC3)co1
InChIInChI=1S/C13H14N2O/c1-14-13-15-12(8-16-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyNVZKUEKGCLPQKQ-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
N-methyl-4-phenyl-1,3-oxazol-2-amine
CID 71648010
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
6-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 61025762
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
4-(2,3-dihydro-1H-inden-5-yl)imidazole-1,2-diamine
CID 82284524
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine (CID 116832476) is 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine is CNc1nc(-c2ccc3c(c2)CCC3)co1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is NVZKUEKGCLPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-13-15-12(8-16-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine?
4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).