5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C13H13ClN2O — CID 106415747

IUPAC5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CCC2NCc1ccno1
InChIInChI=1S/C13H13ClN2O/c14-10-2-3-12-9(7-10)1-4-13(12)15-8-11-5-6-16-17-11/h2-3,5-7,13,15H,1,4,8H2
InChIKeyPPRUJRKKTSCGIZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.11
Rot. Bonds3

About 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106415747) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID106415747
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CCC2NCc1ccno1
InChIInChI=1S/C13H13ClN2O/c14-10-2-3-12-9(7-10)1-4-13(12)15-8-11-5-6-16-17-11/h2-3,5-7,13,15H,1,4,8H2
InChIKeyPPRUJRKKTSCGIZ-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 106415747) is 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Clc1ccc2c(c1)CCC2NCc1ccno1.
What is the InChIKey of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PPRUJRKKTSCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-10-2-3-12-9(7-10)1-4-13(12)15-8-11-5-6-16-17-11/h2-3,5-7,13,15H,1,4,8H2.
What are the key properties of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 248.71 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106415747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).