2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide

C20H19FN4O2 — CID 71245920

IUPAC2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide
SMILESNc1ccc(-c2ccc(CC(=O)Nc3cc(C4(F)CCC4)no3)cc2)cn1
InChIInChI=1S/C20H19FN4O2/c21-20(8-1-9-20)16-11-19(27-25-16)24-18(26)10-13-2-4-14(5-3-13)15-6-7-17(22)23-12-15/h2-7,11-12H,1,8-10H2,(H2,22,23)(H,24,26)
InChIKeyOYOLYRMBSFPXQR-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide

2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 71245920) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide
PubChem CID71245920
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide
SMILESNc1ccc(-c2ccc(CC(=O)Nc3cc(C4(F)CCC4)no3)cc2)cn1
InChIInChI=1S/C20H19FN4O2/c21-20(8-1-9-20)16-11-19(27-25-16)24-18(26)10-13-2-4-14(5-3-13)15-6-7-17(22)23-12-15/h2-7,11-12H,1,8-10H2,(H2,22,23)(H,24,26)
InChIKeyOYOLYRMBSFPXQR-UHFFFAOYSA-N
XLogP3.85
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 66967919
2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide
CID 89401040
[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate
CID 66967916
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[3-(4-fluoro-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-5-yl]acetamide
CID 163291900
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030541
2-[4-(6-amino-5-chloropyridin-1-ium-3-yl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide;methanesulfonate
CID 136617860
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[3-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 164765622
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 51030162
2-[4-(6-amino-4-fluoro-3-pyridinyl)phenyl]-N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 71245855
5-amino-3-[5-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291934
5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765585
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide
CID 158414445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide (CID 71245920) is 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide is Nc1ccc(-c2ccc(CC(=O)Nc3cc(C4(F)CCC4)no3)cc2)cn1.
What is the InChIKey of 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is OYOLYRMBSFPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-20(8-1-9-20)16-11-19(27-25-16)24-18(26)10-13-2-4-14(5-3-13)15-6-7-17(22)23-12-15/h2-7,11-12H,1,8-10H2,(H2,22,23)(H,24,26).
What are the key properties of 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide?
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 366.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 71245920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).