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

C14H14N2O — CID 24871531

IUPAC(4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2cccc3ccccc23)CO1
InChIInChI=1S/C14H14N2O/c15-14-16-12(9-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9H2,(H2,15,16)/t12-/m0/s1
InChIKeyPGUFHDMTDHNCRS-LBPRGKRZSA-N
MW226.28 g/mol
LogP2.10
Rot. Bonds2

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

(4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24871531) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24871531
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2cccc3ccccc23)CO1
InChIInChI=1S/C14H14N2O/c15-14-16-12(9-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9H2,(H2,15,16)/t12-/m0/s1
InChIKeyPGUFHDMTDHNCRS-LBPRGKRZSA-N
XLogP2.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854
(4S)-4-[2-(3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967189
(4S)-4-[2-(4-fluoro-3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967909
(4S)-4-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
CID 59323663
(4R)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323724

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24871531) is (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](Cc2cccc3ccccc23)CO1.
What is the InChIKey of (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PGUFHDMTDHNCRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O/c15-14-16-12(9-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9H2,(H2,15,16)/t12-/m0/s1.
What are the key properties of (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 226.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(naphthalen-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24871531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).