4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

C14H16N2O — CID 10704546

IUPAC4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CC2=Cc3ccccc3CC2)CO1
InChIInChI=1S/C14H16N2O/c15-14-16-13(9-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H2,15,16)
InChIKeyBNCBCRBRCBDEDS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.12
Rot. Bonds2

About 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 10704546) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID10704546
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CC2=Cc3ccccc3CC2)CO1
InChIInChI=1S/C14H16N2O/c15-14-16-13(9-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H2,15,16)
InChIKeyBNCBCRBRCBDEDS-UHFFFAOYSA-N
XLogP2.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 10704546) is 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CC2=Cc3ccccc3CC2)CO1.
What is the InChIKey of 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BNCBCRBRCBDEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-14-16-13(9-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H2,15,16).
What are the key properties of 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 228.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 10704546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).