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

C12H16N2O — CID 15112120

IUPACN,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC1N=C(N(C)C)OC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9-11(10-7-5-4-6-8-10)15-12(13-9)14(2)3/h4-9,11H,1-3H3
InChIKeyYYJKUTAZOODVLZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.06
Rot. Bonds1

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

N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 15112120) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID15112120
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC1N=C(N(C)C)OC1c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9-11(10-7-5-4-6-8-10)15-12(13-9)14(2)3/h4-9,11H,1-3H3
InChIKeyYYJKUTAZOODVLZ-UHFFFAOYSA-N
XLogP2.06
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
2-(azepan-1-yl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 21392987
(4R,5S)-4-methyl-2-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15896957
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15320023
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 119058040
(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
CID 134876417
4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 118988981
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (CID 15112120) is N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is CC1N=C(N(C)C)OC1c1ccccc1.
What is the InChIKey of N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YYJKUTAZOODVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11(10-7-5-4-6-8-10)15-12(13-9)14(2)3/h4-9,11H,1-3H3.
What are the key properties of N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 204.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 15112120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).