[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C19H21NO5 — CID 7240208

IUPAC[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1
InChIInChI=1S/C19H21NO5/c1-12-16(13(2)25-20-12)11-23-15-9-7-14(8-10-15)19(22)24-18-6-4-3-5-17(18)21/h7-10,18H,3-6,11H2,1-2H3/t18-/m0/s1
InChIKeyQDDHEGMCLXXPFY-SFHVURJKSA-N
MW343.38 g/mol
LogP3.54
Rot. Bonds5

About [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 7240208) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID7240208
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1
InChIInChI=1S/C19H21NO5/c1-12-16(13(2)25-20-12)11-23-15-9-7-14(8-10-15)19(22)24-18-6-4-3-5-17(18)21/h7-10,18H,3-6,11H2,1-2H3/t18-/m0/s1
InChIKeyQDDHEGMCLXXPFY-SFHVURJKSA-N
XLogP3.54
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2444678
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2653361
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4784630
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2457673
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46620662
(2-oxooxolan-3-yl) 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 45099987
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 7240208) is [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1.
What is the InChIKey of [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is QDDHEGMCLXXPFY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-16(13(2)25-20-12)11-23-15-9-7-14(8-10-15)19(22)24-18-6-4-3-5-17(18)21/h7-10,18H,3-6,11H2,1-2H3/t18-/m0/s1.
What are the key properties of [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclohexyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 7240208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).