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

C19H16FN3O4 — CID 75368379

IUPAC3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C19H16FN3O4/c1-11(21-19(26)22-14-5-3-2-4-6-14)17-15(18(24)25)16(23-27-17)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,24,25)(H2,21,22,26)/t11-/m1/s1
InChIKeyNFKAQRGWLRABPB-LLVKDONJSA-N
MW369.35 g/mol
LogP4.06
Rot. Bonds5

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

3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368379) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368379
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C19H16FN3O4/c1-11(21-19(26)22-14-5-3-2-4-6-14)17-15(18(24)25)16(23-27-17)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,24,25)(H2,21,22,26)/t11-/m1/s1
InChIKeyNFKAQRGWLRABPB-LLVKDONJSA-N
XLogP4.06
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
5-[(1R)-1-(benzylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 75368401
5-[1-(benzylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 162798444
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-methyl-5-[(1R)-1-(pyridin-3-ylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 172884881
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368372
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368379) is 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid is C[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is NFKAQRGWLRABPB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-11(21-19(26)22-14-5-3-2-4-6-14)17-15(18(24)25)16(23-27-17)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,24,25)(H2,21,22,26)/t11-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 369.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).