[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine

C9H12F2N2O — CID 127017247

IUPAC[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine
SMILESCC1CC1c1nc(C(F)F)c(CN)o1
InChIInChI=1S/C9H12F2N2O/c1-4-2-5(4)9-13-7(8(10)11)6(3-12)14-9/h4-5,8H,2-3,12H2,1H3
InChIKeyFUWIALVXIWKNGV-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.19
Rot. Bonds3

About [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine

[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 127017247) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine
PubChem CID127017247
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine
SMILESCC1CC1c1nc(C(F)F)c(CN)o1
InChIInChI=1S/C9H12F2N2O/c1-4-2-5(4)9-13-7(8(10)11)6(3-12)14-9/h4-5,8H,2-3,12H2,1H3
InChIKeyFUWIALVXIWKNGV-UHFFFAOYSA-N
XLogP2.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine (CID 127017247) is [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine is CC1CC1c1nc(C(F)F)c(CN)o1.
What is the InChIKey of [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is FUWIALVXIWKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-4-2-5(4)9-13-7(8(10)11)6(3-12)14-9/h4-5,8H,2-3,12H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine?
[4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 202.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 127017247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).