5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide

C17H18FN3O4 — CID 110619325

IUPAC5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
SMILESCc1cc(NC(=O)CNC(=O)CCCC(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C17H18FN3O4/c1-11-9-15(21-25-11)20-17(24)10-19-16(23)4-2-3-14(22)12-5-7-13(18)8-6-12/h5-9H,2-4,10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyXFFZCDYANDNZCO-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.23
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide

5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide (PubChem CID 110619325) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
PubChem CID110619325
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
SMILESCc1cc(NC(=O)CNC(=O)CCCC(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C17H18FN3O4/c1-11-9-15(21-25-11)20-17(24)10-19-16(23)4-2-3-14(22)12-5-7-13(18)8-6-12/h5-9H,2-4,10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyXFFZCDYANDNZCO-UHFFFAOYSA-N
XLogP2.23
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
CID 110429046
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2429318
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
2-[[2-(2-fluorophenoxy)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110671924
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
3-bromo-5-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 110614679

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide (CID 110619325) is 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide is Cc1cc(NC(=O)CNC(=O)CCCC(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide?
The InChIKey is XFFZCDYANDNZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11-9-15(21-25-11)20-17(24)10-19-16(23)4-2-3-14(22)12-5-7-13(18)8-6-12/h5-9H,2-4,10H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide?
5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide has a molecular weight of 347.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide is sourced from PubChem (CID 110619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).