1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

C17H18N2O4 — CID 71938400

IUPAC1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H18N2O4/c20-15(19-17(16(21)22)8-2-1-3-9-17)13-6-4-12(5-7-13)14-10-18-11-23-14/h4-7,10-11H,1-3,8-9H2,(H,19,20)(H,21,22)
InChIKeyYZWIJPLVMWKQPI-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.86
Rot. Bonds4

About 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 71938400) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID71938400
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H18N2O4/c20-15(19-17(16(21)22)8-2-1-3-9-17)13-6-4-12(5-7-13)14-10-18-11-23-14/h4-7,10-11H,1-3,8-9H2,(H,19,20)(H,21,22)
InChIKeyYZWIJPLVMWKQPI-UHFFFAOYSA-N
XLogP2.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 71938400) is 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YZWIJPLVMWKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(19-17(16(21)22)8-2-1-3-9-17)13-6-4-12(5-7-13)14-10-18-11-23-14/h4-7,10-11H,1-3,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).