1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

C18H21N3O4 — CID 120539698

IUPAC1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(-c2ccc(C(=O)N(C)C3(C(=O)O)CCCCC3)cc2)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-15(25-12)13-6-8-14(9-7-13)16(22)21(2)18(17(23)24)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyQMDXMZUVJVGHGQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.90
Rot. Bonds4

About 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539698) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539698
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(-c2ccc(C(=O)N(C)C3(C(=O)O)CCCCC3)cc2)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-15(25-12)13-6-8-14(9-7-13)16(22)21(2)18(17(23)24)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,23,24)
InChIKeyQMDXMZUVJVGHGQ-UHFFFAOYSA-N
XLogP2.90
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540320
1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540293
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
1-[methyl-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539918
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
1-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539928
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120539698) is 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is Cc1nnc(-c2ccc(C(=O)N(C)C3(C(=O)O)CCCCC3)cc2)o1.
What is the InChIKey of 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QMDXMZUVJVGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-19-20-15(25-12)13-6-8-14(9-7-13)16(22)21(2)18(17(23)24)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).