N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine

C13H18N2O — CID 102287091

IUPACN,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine
SMILESCCN(CC)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-3-15(4-2)13-10-12(16-14-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyRGKUUTBVXVAQLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds3

About N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine

N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine (PubChem CID 102287091) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine
PubChem CID102287091
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine
SMILESCCN(CC)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-3-15(4-2)13-10-12(16-14-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyRGKUUTBVXVAQLW-UHFFFAOYSA-N
XLogP2.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
CID 162414091
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
3-(4-Methylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 89012480
3-(4-Fluoro-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
CID 141468633
(5S)-5-[2-(2,6-difluorophenyl)-4,6-difluorophenyl]-3-[(3R)-3-fluoro-3-methylpyrrolidin-1-yl]-4,5-dihydro-1,2-oxazole
CID 176057733
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
4-(1-Phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine
CID 90712571
N-methylpiperidin-4-one-O-benzyloxime
CID 129840518
5-[2-(2,6-Difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 171651156
3-[(4-Methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole
CID 13178185
3-(4-Methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 25241892
1-Phenylmethoxypyrrolidin-2-imine
CID 45091431

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine?
The IUPAC name of N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine (CID 102287091) is N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine?
The canonical SMILES for N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine is CCN(CC)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine?
The InChIKey is RGKUUTBVXVAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15(4-2)13-10-12(16-14-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine?
N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine has a molecular weight of 218.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine is sourced from PubChem (CID 102287091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).