N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine

C8H11FN2O — CID 130643630

IUPACN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1oncc1NCC1(F)CC1
InChIInChI=1S/C8H11FN2O/c1-6-7(4-11-12-6)10-5-8(9)2-3-8/h4,10H,2-3,5H2,1H3
InChIKeyWEWDWMUKYNFRKF-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.90
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine

N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine (PubChem CID 130643630) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine
PubChem CID130643630
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1oncc1NCC1(F)CC1
InChIInChI=1S/C8H11FN2O/c1-6-7(4-11-12-6)10-5-8(9)2-3-8/h4,10H,2-3,5H2,1H3
InChIKeyWEWDWMUKYNFRKF-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine (CID 130643630) is N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine is Cc1oncc1NCC1(F)CC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine?
The InChIKey is WEWDWMUKYNFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6-7(4-11-12-6)10-5-8(9)2-3-8/h4,10H,2-3,5H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine?
N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine has a molecular weight of 170.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 130643630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).