3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C20H16FN5O — CID 138682493

IUPAC3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Nc3ccccc3F)nc2)no1
InChIInChI=1S/C20H16FN5O/c21-16-5-1-2-6-17(16)25-19-8-7-13(12-24-19)10-14-11-18(27-26-14)15-4-3-9-23-20(15)22/h1-9,11-12H,10H2,(H2,22,23)(H,24,25)
InChIKeyQQVHHKIHGJRDNG-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.19
Rot. Bonds5

About 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682493) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682493
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Nc3ccccc3F)nc2)no1
InChIInChI=1S/C20H16FN5O/c21-16-5-1-2-6-17(16)25-19-8-7-13(12-24-19)10-14-11-18(27-26-14)15-4-3-9-23-20(15)22/h1-9,11-12H,10H2,(H2,22,23)(H,24,25)
InChIKeyQQVHHKIHGJRDNG-UHFFFAOYSA-N
XLogP4.19
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682493) is 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(Nc3ccccc3F)nc2)no1.
What is the InChIKey of 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is QQVHHKIHGJRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-5-1-2-6-17(16)25-19-8-7-13(12-24-19)10-14-11-18(27-26-14)15-4-3-9-23-20(15)22/h1-9,11-12H,10H2,(H2,22,23)(H,24,25).
What are the key properties of 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 361.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(2-fluoroanilino)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).