3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine

C23H22FN5O — CID 135270056

IUPAC3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)cnc3N)on2)c(F)c1
InChIInChI=1S/C23H22FN5O/c1-3-26-12-15-6-9-17(18(24)10-15)19-11-21(30-29-19)22-23(25)27-13-20(28-22)16-7-4-14(2)5-8-16/h4-11,13,26H,3,12H2,1-2H3,(H2,25,27)
InChIKeyHXJKFUOGPFYHNV-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.60
Rot. Bonds6

About 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine

3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine (PubChem CID 135270056) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
PubChem CID135270056
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)cnc3N)on2)c(F)c1
InChIInChI=1S/C23H22FN5O/c1-3-26-12-15-6-9-17(18(24)10-15)19-11-21(30-29-19)22-23(25)27-13-20(28-22)16-7-4-14(2)5-8-16/h4-11,13,26H,3,12H2,1-2H3,(H2,25,27)
InChIKeyHXJKFUOGPFYHNV-UHFFFAOYSA-N
XLogP4.60
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 166971160
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 59471613
3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
CID 59472047
3-[3-[2-fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfanylphenyl)pyrazin-2-amine
CID 135270377
3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 135270347
2-[4-[5-amino-6-[3-[4-[(dimethylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-fluorophenyl]propane-2-sulfinic acid
CID 146249297
1-[3-fluoro-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 160515313
2-[[4-[5-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-1-ol
CID 135270415
1-[[4-[5-(3-amino-6-bromopyrazin-2-yl)-1,2-oxazol-3-yl]phenyl]methylamino]-2-methylpropan-2-ol
CID 58070512
bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanylphosphane;3-[3-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
CID 160780305
5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one
CID 58070289
6-[4-[[4-[5-[3-amino-6-(4-butan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]-3-fluorophenyl]methylamino]oxolan-2-yl]-5-(4-butan-2-ylsulfonylphenyl)-3-[3-[2-fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 91046336

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine (CID 135270056) is 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine is CCNCc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)cnc3N)on2)c(F)c1.
What is the InChIKey of 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
The InChIKey is HXJKFUOGPFYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-3-26-12-15-6-9-17(18(24)10-15)19-11-21(30-29-19)22-23(25)27-13-20(28-22)16-7-4-14(2)5-8-16/h4-11,13,26H,3,12H2,1-2H3,(H2,25,27).
What are the key properties of 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine?
3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine has a molecular weight of 403.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 135270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).