(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C16H19N3O — CID 25019881

IUPAC(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O/c1-2-19(10-14-11-20-16(17)18-14)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14H,2,10-11H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyKZGJKBMNCFJVLC-CQSZACIVSA-N
MW269.35 g/mol
LogP2.38
Rot. Bonds4

About (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25019881) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25019881
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3O/c1-2-19(10-14-11-20-16(17)18-14)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14H,2,10-11H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyKZGJKBMNCFJVLC-CQSZACIVSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25019881) is (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@@H]1COC(N)=N1)c1ccc2ccccc2c1.
What is the InChIKey of (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is KZGJKBMNCFJVLC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(10-14-11-20-16(17)18-14)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14H,2,10-11H2,1H3,(H2,17,18)/t14-/m1/s1.
What are the key properties of (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25019881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).