N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine

C11H12FN3O — CID 106373328

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCc1cnc(CNc2ccc(F)cn2)o1
InChIInChI=1S/C11H12FN3O/c1-2-9-6-15-11(16-9)7-14-10-4-3-8(12)5-13-10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyFBDVHCJLEOXUOT-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.38
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine (PubChem CID 106373328) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine
PubChem CID106373328
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine
SMILESCCc1cnc(CNc2ccc(F)cn2)o1
InChIInChI=1S/C11H12FN3O/c1-2-9-6-15-11(16-9)7-14-10-4-3-8(12)5-13-10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyFBDVHCJLEOXUOT-UHFFFAOYSA-N
XLogP2.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine (CID 106373328) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine is CCc1cnc(CNc2ccc(F)cn2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine?
The InChIKey is FBDVHCJLEOXUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-9-6-15-11(16-9)7-14-10-4-3-8(12)5-13-10/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 106373328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).