N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide

C22H26FN5O2 — CID 123305659

IUPACN-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide
SMILESCCc1cnc(N(C)CCC(C)N(C)C(=O)c2ccc(-c3cnco3)c(F)c2)cn1
InChIInChI=1S/C22H26FN5O2/c1-5-17-11-26-21(13-25-17)27(3)9-8-15(2)28(4)22(29)16-6-7-18(19(23)10-16)20-12-24-14-30-20/h6-7,10-15H,5,8-9H2,1-4H3
InChIKeyJDOVAGNCWQWPLG-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.82
Rot. Bonds8

About N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide

N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 123305659) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide
PubChem CID123305659
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide
SMILESCCc1cnc(N(C)CCC(C)N(C)C(=O)c2ccc(-c3cnco3)c(F)c2)cn1
InChIInChI=1S/C22H26FN5O2/c1-5-17-11-26-21(13-25-17)27(3)9-8-15(2)28(4)22(29)16-6-7-18(19(23)10-16)20-12-24-14-30-20/h6-7,10-15H,5,8-9H2,1-4H3
InChIKeyJDOVAGNCWQWPLG-UHFFFAOYSA-N
XLogP3.82
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide (CID 123305659) is N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide is CCc1cnc(N(C)CCC(C)N(C)C(=O)c2ccc(-c3cnco3)c(F)c2)cn1.
What is the InChIKey of N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is JDOVAGNCWQWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-5-17-11-26-21(13-25-17)27(3)9-8-15(2)28(4)22(29)16-6-7-18(19(23)10-16)20-12-24-14-30-20/h6-7,10-15H,5,8-9H2,1-4H3.
What are the key properties of N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethylpyrazin-2-yl)-methylamino]butan-2-yl]-3-fluoro-N-methyl-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 123305659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).