2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C14H13F2N5O — CID 146662501

IUPAC2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESNCC(F)c1nc2c(NCc3ncccc3F)nccc2o1
InChIInChI=1S/C14H13F2N5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)22-14(21-12)9(16)6-17/h1-5,9H,6-7,17H2,(H,19,20)
InChIKeyZSSHFZXNBPGDIW-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 146662501) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID146662501
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESNCC(F)c1nc2c(NCc3ncccc3F)nccc2o1
InChIInChI=1S/C14H13F2N5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)22-14(21-12)9(16)6-17/h1-5,9H,6-7,17H2,(H,19,20)
InChIKeyZSSHFZXNBPGDIW-UHFFFAOYSA-N
XLogP2.34
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 146662501) is 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is NCC(F)c1nc2c(NCc3ncccc3F)nccc2o1.
What is the InChIKey of 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is ZSSHFZXNBPGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c15-8-2-1-4-18-10(8)7-20-13-12-11(3-5-19-13)22-14(21-12)9(16)6-17/h1-5,9H,6-7,17H2,(H,19,20).
What are the key properties of 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 305.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-fluoroethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 146662501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).