5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine

C11H11ClFN3O — CID 103738564

IUPAC5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cc2F)oc1C
InChIInChI=1S/C11H11ClFN3O/c1-6-7(2)17-10(16-6)5-15-11-9(13)3-8(12)4-14-11/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyXSHURINTPIWXBC-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine

5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine (PubChem CID 103738564) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine
PubChem CID103738564
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cc2F)oc1C
InChIInChI=1S/C11H11ClFN3O/c1-6-7(2)17-10(16-6)5-15-11-9(13)3-8(12)4-14-11/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyXSHURINTPIWXBC-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine (CID 103738564) is 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine is Cc1nc(CNc2ncc(Cl)cc2F)oc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is XSHURINTPIWXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-7(2)17-10(16-6)5-15-11-9(13)3-8(12)4-14-11/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine?
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 255.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 103738564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).