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

C20H19FN4O3 — CID 89401040

IUPAC2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide
SMILESCC1(c2cc(NC(=O)Cc3ccc(-c4cnc(N)c(F)c4)cc3)on2)COC1
InChIInChI=1S/C20H19FN4O3/c1-20(10-27-11-20)16-8-18(28-25-16)24-17(26)6-12-2-4-13(5-3-12)14-7-15(21)19(22)23-9-14/h2-5,7-9H,6,10-11H2,1H3,(H2,22,23)(H,24,26)
InChIKeyDZNUROCKJDPWFP-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.93
Rot. Bonds5

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

2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide (PubChem CID 89401040) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide
PubChem CID89401040
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide
SMILESCC1(c2cc(NC(=O)Cc3ccc(-c4cnc(N)c(F)c4)cc3)on2)COC1
InChIInChI=1S/C20H19FN4O3/c1-20(10-27-11-20)16-8-18(28-25-16)24-17(26)6-12-2-4-13(5-3-12)14-7-15(21)19(22)23-9-14/h2-5,7-9H,6,10-11H2,1H3,(H2,22,23)(H,24,26)
InChIKeyDZNUROCKJDPWFP-UHFFFAOYSA-N
XLogP2.93
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide with MolForge

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Related Compounds

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
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide
CID 71245920
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030541
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
2-[4-(6-amino-2,5-difluoro-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030542
2-[4-(6-amino-3-pyridinyl)phenyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 66967919
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
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
CID 162340095
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide (CID 89401040) is 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide is CC1(c2cc(NC(=O)Cc3ccc(-c4cnc(N)c(F)c4)cc3)on2)COC1.
What is the InChIKey of 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is DZNUROCKJDPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-20(10-27-11-20)16-8-18(28-25-16)24-17(26)6-12-2-4-13(5-3-12)14-7-15(21)19(22)23-9-14/h2-5,7-9H,6,10-11H2,1H3,(H2,22,23)(H,24,26).
What are the key properties of 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide?
2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 382.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-N-[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 89401040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).