5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid

C16H24N2O4 — CID 122056791

IUPAC5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccon1
InChIInChI=1S/C16H24N2O4/c19-15(11-14-8-9-22-18-14)17-13(6-7-16(20)21)10-12-4-2-1-3-5-12/h8-9,12-13H,1-7,10-11H2,(H,17,19)(H,20,21)
InChIKeyWYRJDLASHMIZDY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds8

About 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid

5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 122056791) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
PubChem CID122056791
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccon1
InChIInChI=1S/C16H24N2O4/c19-15(11-14-8-9-22-18-14)17-13(6-7-16(20)21)10-12-4-2-1-3-5-12/h8-9,12-13H,1-7,10-11H2,(H,17,19)(H,20,21)
InChIKeyWYRJDLASHMIZDY-UHFFFAOYSA-N
XLogP2.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
CID 122056584
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
CID 122056600
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid (CID 122056791) is 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid is O=C(O)CCC(CC1CCCCC1)NC(=O)Cc1ccon1.
What is the InChIKey of 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is WYRJDLASHMIZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-15(11-14-8-9-22-18-14)17-13(6-7-16(20)21)10-12-4-2-1-3-5-12/h8-9,12-13H,1-7,10-11H2,(H,17,19)(H,20,21).
What are the key properties of 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 122056791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).