1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine

C7H10F2N2O — CID 106414984

IUPAC1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
SMILESCC(NCc1ccno1)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-5(7(8)9)10-4-6-2-3-11-12-6/h2-3,5,7,10H,4H2,1H3
InChIKeyVDKPDGJSKQIQPR-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.42
Rot. Bonds4

About 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine

1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine (PubChem CID 106414984) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
PubChem CID106414984
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
SMILESCC(NCc1ccno1)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-5(7(8)9)10-4-6-2-3-11-12-6/h2-3,5,7,10H,4H2,1H3
InChIKeyVDKPDGJSKQIQPR-UHFFFAOYSA-N
XLogP1.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine (CID 106414984) is 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine is CC(NCc1ccno1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine?
The InChIKey is VDKPDGJSKQIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5(7(8)9)10-4-6-2-3-11-12-6/h2-3,5,7,10H,4H2,1H3.
What are the key properties of 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine?
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine has a molecular weight of 176.17 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 106414984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).