N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine

C13H14N2O — CID 162624310

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H14N2O/c1-2-8-14-10-12-9-13(16-15-12)11-6-4-3-5-7-11/h2-7,9,14H,1,8,10H2
InChIKeyKWTNMZSJFMYZGF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.62
Rot. Bonds5

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 162624310) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID162624310
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H14N2O/c1-2-8-14-10-12-9-13(16-15-12)11-6-4-3-5-7-11/h2-7,9,14H,1,8,10H2
InChIKeyKWTNMZSJFMYZGF-UHFFFAOYSA-N
XLogP2.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
CID 134232686
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
CID 120966482
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine
CID 170752460
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 71934163

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine (CID 162624310) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine is C=CCNCc1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is KWTNMZSJFMYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-8-14-10-12-9-13(16-15-12)11-6-4-3-5-7-11/h2-7,9,14H,1,8,10H2.
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 214.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 162624310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).