1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19N3O4 — CID 69311881

IUPAC1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=CN2C(C(=O)NC3(C(=O)O)CCCCC3)=CNC2O1
InChIInChI=1S/C14H19N3O4/c1-9-8-17-10(7-15-13(17)21-9)11(18)16-14(12(19)20)5-3-2-4-6-14/h7-8,13,15H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyRTWVHVCMGPHBKT-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.81
Rot. Bonds3

About 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 69311881) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID69311881
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=CN2C(C(=O)NC3(C(=O)O)CCCCC3)=CNC2O1
InChIInChI=1S/C14H19N3O4/c1-9-8-17-10(7-15-13(17)21-9)11(18)16-14(12(19)20)5-3-2-4-6-14/h7-8,13,15H,2-6H2,1H3,(H,16,18)(H,19,20)
InChIKeyRTWVHVCMGPHBKT-UHFFFAOYSA-N
XLogP0.81
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 69311881) is 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1=CN2C(C(=O)NC3(C(=O)O)CCCCC3)=CNC2O1.
What is the InChIKey of 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RTWVHVCMGPHBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-8-17-10(7-15-13(17)21-9)11(18)16-14(12(19)20)5-3-2-4-6-14/h7-8,13,15H,2-6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-7,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69311881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).