N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C16H18N2O — CID 65184355

IUPACN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-c1cnc(CNC3CC3)o1)CCC2
InChIInChI=1S/C16H18N2O/c1-2-11-4-5-13(8-12(11)3-1)15-9-18-16(19-15)10-17-14-6-7-14/h4-5,8-9,14,17H,1-3,6-7,10H2
InChIKeyUTDHPBAMUXJQOR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.08
Rot. Bonds4

About N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184355) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184355
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-c1cnc(CNC3CC3)o1)CCC2
InChIInChI=1S/C16H18N2O/c1-2-11-4-5-13(8-12(11)3-1)15-9-18-16(19-15)10-17-14-6-7-14/h4-5,8-9,14,17H,1-3,6-7,10H2
InChIKeyUTDHPBAMUXJQOR-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184355) is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is c1cc2c(cc1-c1cnc(CNC3CC3)o1)CCC2.
What is the InChIKey of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is UTDHPBAMUXJQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-11-4-5-13(8-12(11)3-1)15-9-18-16(19-15)10-17-14-6-7-14/h4-5,8-9,14,17H,1-3,6-7,10H2.
What are the key properties of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 254.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).