2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide

C23H23BrN6O2 — CID 10368518

IUPAC2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1-c1cnc(Nc2cccc(-c3nn(C)cc3Br)c2)o1)C(=O)CN
InChIInChI=1S/C23H23BrN6O2/c1-29(21(31)11-25)13-16-6-3-4-9-18(16)20-12-26-23(32-20)27-17-8-5-7-15(10-17)22-19(24)14-30(2)28-22/h3-10,12,14H,11,13,25H2,1-2H3,(H,26,27)
InChIKeyKFYVMOXFLURUFG-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.17
Rot. Bonds7

About 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide

2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide (PubChem CID 10368518) has the molecular formula C23H23BrN6O2 and a molecular weight of 495.38 g/mol. Its IUPAC name is 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
PubChem CID10368518
Molecular FormulaC23H23BrN6O2
Molecular Weight495.38 g/mol
Exact Mass494.11
IUPAC Name2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1-c1cnc(Nc2cccc(-c3nn(C)cc3Br)c2)o1)C(=O)CN
InChIInChI=1S/C23H23BrN6O2/c1-29(21(31)11-25)13-16-6-3-4-9-18(16)20-12-26-23(32-20)27-17-8-5-7-15(10-17)22-19(24)14-30(2)28-22/h3-10,12,14H,11,13,25H2,1-2H3,(H,26,27)
InChIKeyKFYVMOXFLURUFG-UHFFFAOYSA-N
XLogP4.17
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-amino-N-[[2-[2-[3-methoxy-4-(2-methylprop-1-enyl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
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CID 510923
2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedinitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide (CID 10368518) is 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide is CN(Cc1ccccc1-c1cnc(Nc2cccc(-c3nn(C)cc3Br)c2)o1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The InChIKey is KFYVMOXFLURUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O2/c1-29(21(31)11-25)13-16-6-3-4-9-18(16)20-12-26-23(32-20)27-17-8-5-7-15(10-17)22-19(24)14-30(2)28-22/h3-10,12,14H,11,13,25H2,1-2H3,(H,26,27).
What are the key properties of 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide has a molecular weight of 495.38 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 10368518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).