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

C8H13FN2O — CID 84766257

IUPAC1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine
SMILESCc1nc(CC(C)N)oc1CF
InChIInChI=1S/C8H13FN2O/c1-5(10)3-8-11-6(2)7(4-9)12-8/h5H,3-4,10H2,1-2H3
InChIKeyMQNQEQBHNYQHQY-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.34
Rot. Bonds3

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

1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine (PubChem CID 84766257) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine
PubChem CID84766257
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine
SMILESCc1nc(CC(C)N)oc1CF
InChIInChI=1S/C8H13FN2O/c1-5(10)3-8-11-6(2)7(4-9)12-8/h5H,3-4,10H2,1-2H3
InChIKeyMQNQEQBHNYQHQY-UHFFFAOYSA-N
XLogP1.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine (CID 84766257) is 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine is Cc1nc(CC(C)N)oc1CF.
What is the InChIKey of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine?
The InChIKey is MQNQEQBHNYQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5(10)3-8-11-6(2)7(4-9)12-8/h5H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine?
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine has a molecular weight of 172.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-2-amine is sourced from PubChem (CID 84766257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).