6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine

C21H19FN6O — CID 167943780

IUPAC6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(-c3cc(CC4CC4)on3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H19FN6O/c22-16-5-2-1-4-14(16)12-28-21(18-11-15(29-27-18)10-13-8-9-13)25-20(26-28)17-6-3-7-19(23)24-17/h1-7,11,13H,8-10,12H2,(H2,23,24)
InChIKeyAFASVXNVRLPGTK-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.72
Rot. Bonds6

About 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine

6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 167943780) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID167943780
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(-c3cc(CC4CC4)on3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H19FN6O/c22-16-5-2-1-4-14(16)12-28-21(18-11-15(29-27-18)10-13-8-9-13)25-20(26-28)17-6-3-7-19(23)24-17/h1-7,11,13H,8-10,12H2,(H2,23,24)
InChIKeyAFASVXNVRLPGTK-UHFFFAOYSA-N
XLogP3.72
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 167943780) is 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine is Nc1cccc(-c2nc(-c3cc(CC4CC4)on3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is AFASVXNVRLPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-16-5-2-1-4-14(16)12-28-21(18-11-15(29-27-18)10-13-8-9-13)25-20(26-28)17-6-3-7-19(23)24-17/h1-7,11,13H,8-10,12H2,(H2,23,24).
What are the key properties of 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 167943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).