methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate

C12H17NO3 — CID 58509473

IUPACmethyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2ncc(C)o2)CC1
InChIInChI=1S/C12H17NO3/c1-8-7-13-11(16-8)9-3-5-10(6-4-9)12(14)15-2/h7,9-10H,3-6H2,1-2H3
InChIKeyBLMWKHHBBAUPRW-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.43
Rot. Bonds2

About methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate

methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 58509473) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
PubChem CID58509473
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2ncc(C)o2)CC1
InChIInChI=1S/C12H17NO3/c1-8-7-13-11(16-8)9-3-5-10(6-4-9)12(14)15-2/h7,9-10H,3-6H2,1-2H3
InChIKeyBLMWKHHBBAUPRW-UHFFFAOYSA-N
XLogP2.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
CID 58509447
methyl 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylate
CID 141310856
methyl 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylate
CID 66610382
methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 66677787
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
CID 172581610
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111
[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate
CID 174791952
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate (CID 58509473) is methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2ncc(C)o2)CC1.
What is the InChIKey of methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is BLMWKHHBBAUPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-13-11(16-8)9-3-5-10(6-4-9)12(14)15-2/h7,9-10H,3-6H2,1-2H3.
What are the key properties of methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate?
methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 58509473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).