1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine

C14H19N3O — CID 55078352

IUPAC1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCc1cc(CNCC(C)(N)c2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-11-8-13(17-18-11)9-16-10-14(2,15)12-6-4-3-5-7-12/h3-8,16H,9-10,15H2,1-2H3
InChIKeyNCULZFDXTFDMPS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.95
Rot. Bonds5

About 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine

1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine (PubChem CID 55078352) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
PubChem CID55078352
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCc1cc(CNCC(C)(N)c2ccccc2)no1
InChIInChI=1S/C14H19N3O/c1-11-8-13(17-18-11)9-16-10-14(2,15)12-6-4-3-5-7-12/h3-8,16H,9-10,15H2,1-2H3
InChIKeyNCULZFDXTFDMPS-UHFFFAOYSA-N
XLogP1.95
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine (CID 55078352) is 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine is Cc1cc(CNCC(C)(N)c2ccccc2)no1.
What is the InChIKey of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine?
The InChIKey is NCULZFDXTFDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-8-13(17-18-11)9-16-10-14(2,15)12-6-4-3-5-7-12/h3-8,16H,9-10,15H2,1-2H3.
What are the key properties of 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine?
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 55078352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).