3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

C17H14FN3O5 — CID 75368267

IUPAC3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(C(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)no1
InChIInChI=1S/C17H14FN3O5/c1-8-7-12(20-25-8)16(22)19-9(2)15-13(17(23)24)14(21-26-15)10-3-5-11(18)6-4-10/h3-7,9H,1-2H3,(H,19,22)(H,23,24)/t9-/m1/s1
InChIKeyHFGWAQNAQIGVQV-SECBINFHSA-N
MW359.31 g/mol
LogP2.97
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid

3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368267) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368267
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(C(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)no1
InChIInChI=1S/C17H14FN3O5/c1-8-7-12(20-25-8)16(22)19-9(2)15-13(17(23)24)14(21-26-15)10-3-5-11(18)6-4-10/h3-7,9H,1-2H3,(H,19,22)(H,23,24)/t9-/m1/s1
InChIKeyHFGWAQNAQIGVQV-SECBINFHSA-N
XLogP2.97
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368267) is 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is Cc1cc(C(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is HFGWAQNAQIGVQV-SECBINFHSA-N. The full InChI is InChI=1S/C17H14FN3O5/c1-8-7-12(20-25-8)16(22)19-9(2)15-13(17(23)24)14(21-26-15)10-3-5-11(18)6-4-10/h3-7,9H,1-2H3,(H,19,22)(H,23,24)/t9-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid?
3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 359.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).