N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine

C13H16N2O — CID 79145650

IUPACN-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)14-8-12-13(16-9-15-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyHUDOOHUCJCCBQY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.84
Rot. Bonds4

About N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine

N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine (PubChem CID 79145650) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
PubChem CID79145650
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)14-8-12-13(16-9-15-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyHUDOOHUCJCCBQY-UHFFFAOYSA-N
XLogP2.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine (CID 79145650) is N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine is CC(C)NCc1ncoc1-c1ccccc1.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine?
The InChIKey is HUDOOHUCJCCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)14-8-12-13(16-9-15-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine?
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine has a molecular weight of 216.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 79145650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).