cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate

C20H22N2O5 — CID 7263804

IUPACcis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate
SMILESCc1cc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)c2ccccc2)no1
InChIInChI=1S/C20H22N2O5/c1-13-11-17(22-27-13)21-18(23)12-26-20(25)16-10-6-5-9-15(16)19(24)14-7-3-2-4-8-14/h2-4,7-8,11,15-16H,5-6,9-10,12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyMKHHJPJKZOCKQG-CVEARBPZSA-N
MW370.41 g/mol
LogP3.15
Rot. Bonds6

About cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate

cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate (PubChem CID 7263804) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate
PubChem CID7263804
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namecis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate
SMILESCc1cc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)c2ccccc2)no1
InChIInChI=1S/C20H22N2O5/c1-13-11-17(22-27-13)21-18(23)12-26-20(25)16-10-6-5-9-15(16)19(24)14-7-3-2-4-8-14/h2-4,7-8,11,15-16H,5-6,9-10,12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKeyMKHHJPJKZOCKQG-CVEARBPZSA-N
XLogP3.15
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate with MolForge

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932127
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 155149410
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17259133
cis-methyl (1R,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]cycloheptane-1-carboxylate
CID 96540969
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697615
(2-anilino-2-oxoethyl) 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543447

Frequently Asked Questions

What is the IUPAC name of cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The IUPAC name of cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate (CID 7263804) is cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The canonical SMILES for cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate is Cc1cc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)c2ccccc2)no1.
What is the InChIKey of cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate?
The InChIKey is MKHHJPJKZOCKQG-CVEARBPZSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-11-17(22-27-13)21-18(23)12-26-20(25)16-10-6-5-9-15(16)19(24)14-7-3-2-4-8-14/h2-4,7-8,11,15-16H,5-6,9-10,12H2,1H3,(H,21,22,23)/t15-,16+/m1/s1.
What are the key properties of cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate?
cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1S,2R)-2-benzoylcyclohexane-1-carboxylate is sourced from PubChem (CID 7263804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).