(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine

C14H14N2O — CID 57215011

IUPAC(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1C=C(c2ccc3ccccc3c2)NO1
InChIInChI=1S/C14H14N2O/c15-9-13-8-14(16-17-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16H,9,15H2
InChIKeyDSNLCHZXBRYITP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.04
Rot. Bonds2

About (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine

(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 57215011) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID57215011
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1C=C(c2ccc3ccccc3c2)NO1
InChIInChI=1S/C14H14N2O/c15-9-13-8-14(16-17-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16H,9,15H2
InChIKeyDSNLCHZXBRYITP-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methoxy-2-naphthalenemethanamine
CID 50995316
N-Ethoxy-2-naphthalenemethanamine
CID 53308535
N-Ethoxy-1-naphthalenemethanamine
CID 53308554
(S)-O-ethyl-N-(1-(naphthalen-2-yl)ethyl)hydroxylamine
CID 163358795
1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711902
3-naphthalen-1-yl-2H-oxazine
CID 54209924
5-(Isothiocyanatomethyl)-3-naphthalen-2-yl-2,5-dihydro-1,2-oxazole
CID 57021248
N-[2-(diethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57023701
N-methoxy-1-naphthalen-2-ylethenamine
CID 57047007
N-[1-(dimethylamino)propoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57144933
3-(3-Naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile
CID 57166597
N-[2-(dimethylamino)ethoxy]-1H-cyclopenta[a]naphthalen-3-amine
CID 57289122

Frequently Asked Questions

What is the IUPAC name of (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 57215011) is (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine is NCC1C=C(c2ccc3ccccc3c2)NO1.
What is the InChIKey of (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is DSNLCHZXBRYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-9-13-8-14(16-17-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16H,9,15H2.
What are the key properties of (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 226.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 57215011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).