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

C16H15FN2O4 — CID 75368159

IUPAC4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)C1CC1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-8(18-15(20)10-2-3-10)12-13(19-23-14(12)16(21)22)9-4-6-11(17)7-5-9/h4-8,10H,2-3H2,1H3,(H,18,20)(H,21,22)/t8-/m1/s1
InChIKeyYZOPIIFYBXVCKL-MRVPVSSYSA-N
MW318.30 g/mol
LogP2.77
Rot. Bonds5

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

4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 75368159) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID75368159
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)C1CC1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-8(18-15(20)10-2-3-10)12-13(19-23-14(12)16(21)22)9-4-6-11(17)7-5-9/h4-8,10H,2-3H2,1H3,(H,18,20)(H,21,22)/t8-/m1/s1
InChIKeyYZOPIIFYBXVCKL-MRVPVSSYSA-N
XLogP2.77
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527336
4-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 75368158
(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoic acid
CID 71458793
N-((5-(4-fluorophenyl)isoxazol-3-yl)methyl)cyclopropanecarboxamide
CID 16866842
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53015631
N-cyclopropyl-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53015634
4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 75368128
4-[(1R)-1-acetamidoethyl]-3-(4-chlorophenyl)-1,2-oxazole-5-carboxylic acid
CID 75368140
3-(4-chlorophenyl)-4-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368144
3-(4-chlorophenyl)-4-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368153
4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 75368155
3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368156

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (CID 75368159) is 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is C[C@@H](NC(=O)C1CC1)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is YZOPIIFYBXVCKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-8(18-15(20)10-2-3-10)12-13(19-23-14(12)16(21)22)9-4-6-11(17)7-5-9/h4-8,10H,2-3H2,1H3,(H,18,20)(H,21,22)/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).