N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C20H18N2O — CID 55735190

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(Cc1nc2ccccc2o1)C1CCc2ccccc21
InChIInChI=1S/C20H18N2O/c1-2-13-22(18-12-11-15-7-3-4-8-16(15)18)14-20-21-17-9-5-6-10-19(17)23-20/h1,3-10,18H,11-14H2
InChIKeyYOPQMLYBNTYIPQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.95
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 55735190) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID55735190
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(Cc1nc2ccccc2o1)C1CCc2ccccc21
InChIInChI=1S/C20H18N2O/c1-2-13-22(18-12-11-15-7-3-4-8-16(15)18)14-20-21-17-9-5-6-10-19(17)23-20/h1,3-10,18H,11-14H2
InChIKeyYOPQMLYBNTYIPQ-UHFFFAOYSA-N
XLogP3.95
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 55735190) is N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN(Cc1nc2ccccc2o1)C1CCc2ccccc21.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YOPQMLYBNTYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-13-22(18-12-11-15-7-3-4-8-16(15)18)14-20-21-17-9-5-6-10-19(17)23-20/h1,3-10,18H,11-14H2.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 302.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55735190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).