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

C9H10N2O — CID 16630

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IUPAC5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccccc2)O1
InChIInChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeySYAKTDIEAPMBAL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.07
Rot. Bonds1

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

5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 16630) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID16630
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccccc2)O1
InChIInChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeySYAKTDIEAPMBAL-UHFFFAOYSA-N
XLogP1.07
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pemoline
CID 4723
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
4,4'-Dimethylaminorex
CID 20741615
(4S,5R)-4-Methylaminorex
CID 3058692
Clominorex
CID 19752
4-Methylaminorex, (4S,5S)-
CID 214156
(S)-Rexamino
CID 11116360
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(S)-4-[(Benzyloxy)methyl]-4,5-dihydrooxazol-2-amine
CID 59323636
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
Fluminorex
CID 24100

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (CID 16630) is 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is NC1=NCC(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SYAKTDIEAPMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11).
What are the key properties of 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
5-phenyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 162.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 16630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).