N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

C19H18FN5O — CID 178159497

IUPACN-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C19H18FN5O/c1-19(2,3)25-17-14(6-11(8-21-17)12-9-22-23-10-12)18-24-15-5-4-13(20)7-16(15)26-18/h4-10H,1-3H3,(H,21,25)(H,22,23)
InChIKeyYWYHZXDDGSXIIF-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.63
Rot. Bonds3

About N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine

N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 178159497) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID178159497
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C19H18FN5O/c1-19(2,3)25-17-14(6-11(8-21-17)12-9-22-23-10-12)18-24-15-5-4-13(20)7-16(15)26-18/h4-10H,1-3H3,(H,21,25)(H,22,23)
InChIKeyYWYHZXDDGSXIIF-UHFFFAOYSA-N
XLogP4.63
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 178159497) is N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is CC(C)(C)Nc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(F)cc2o1.
What is the InChIKey of N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is YWYHZXDDGSXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-19(2,3)25-17-14(6-11(8-21-17)12-9-22-23-10-12)18-24-15-5-4-13(20)7-16(15)26-18/h4-10H,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine?
N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 351.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 178159497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).