[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate

C22H22N4O4 — CID 66967916

IUPAC[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate
SMILESCC(=O)OCC1(c2cc(NC(=O)Cc3ccc(-c4ccc(N)nc4)cc3)no2)CC1
InChIInChI=1S/C22H22N4O4/c1-14(27)29-13-22(8-9-22)18-11-20(26-30-18)25-21(28)10-15-2-4-16(5-3-15)17-6-7-19(23)24-12-17/h2-7,11-12H,8-10,13H2,1H3,(H2,23,24)(H,25,26,28)
InChIKeyXXEPJJNLNICDMU-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.09
Rot. Bonds7

About [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate

[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate (PubChem CID 66967916) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate.

Molecular Properties

Compound Name[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate
PubChem CID66967916
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate
SMILESCC(=O)OCC1(c2cc(NC(=O)Cc3ccc(-c4ccc(N)nc4)cc3)no2)CC1
InChIInChI=1S/C22H22N4O4/c1-14(27)29-13-22(8-9-22)18-11-20(26-30-18)25-21(28)10-15-2-4-16(5-3-15)17-6-7-19(23)24-12-17/h2-7,11-12H,8-10,13H2,1H3,(H2,23,24)(H,25,26,28)
InChIKeyXXEPJJNLNICDMU-UHFFFAOYSA-N
XLogP3.09
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-3-pyridinyl)phenyl]-N-[3-(1-fluorocyclobutyl)-1,2-oxazol-5-yl]acetamide
CID 71245920
2-[4-(6-amino-4-fluoro-3-pyridinyl)phenyl]-N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 71245855
2-[3-methyl-4-[[5-[4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]ethyl acetate
CID 147097136
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-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 66968044
N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-phenylacetamide
CID 141285679
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-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
CID 162340095
2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 158196628
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126505332

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate?
The IUPAC name of [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate (CID 66967916) is [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate.
What is the SMILES notation for [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate?
The canonical SMILES for [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate is CC(=O)OCC1(c2cc(NC(=O)Cc3ccc(-c4ccc(N)nc4)cc3)no2)CC1.
What is the InChIKey of [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate?
The InChIKey is XXEPJJNLNICDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14(27)29-13-22(8-9-22)18-11-20(26-30-18)25-21(28)10-15-2-4-16(5-3-15)17-6-7-19(23)24-12-17/h2-7,11-12H,8-10,13H2,1H3,(H2,23,24)(H,25,26,28).
What are the key properties of [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate?
[1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate has a molecular weight of 406.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[2-[4-(6-amino-3-pyridinyl)phenyl]acetyl]amino]-1,2-oxazol-5-yl]cyclopropyl]methyl acetate is sourced from PubChem (CID 66967916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).