ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate

C18H23N3O5 — CID 175084700

IUPACethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3CO)cn2)C1
InChIInChI=1S/C18H23N3O5/c1-3-24-18(23)12-5-4-6-13(7-12)25-16-9-19-15(8-20-16)17-14(10-22)11(2)21-26-17/h8-9,12-13,22H,3-7,10H2,1-2H3
InChIKeyUJXKVPSCEPPCFT-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.43
Rot. Bonds6

About ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate

ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate (PubChem CID 175084700) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate
PubChem CID175084700
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nameethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3CO)cn2)C1
InChIInChI=1S/C18H23N3O5/c1-3-24-18(23)12-5-4-6-13(7-12)25-16-9-19-15(8-20-16)17-14(10-22)11(2)21-26-17/h8-9,12-13,22H,3-7,10H2,1-2H3
InChIKeyUJXKVPSCEPPCFT-UHFFFAOYSA-N
XLogP2.43
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl (1S)-3-[5-(4-carbonochloridoyl-3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]oxycyclohexane-1-carboxylate
CID 155621115
5-[5-(3-ethoxycarbonylcyclohexyl)oxypyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 155165489
trans-ethyl (1S,3S)-3-[5-(4-carbonochloridoyl-3-methyl-1,2-oxazol-5-yl)pyrazin-2-yl]oxycyclohexane-1-carboxylate
CID 155153681
3-[5-[3-methyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylic acid
CID 155165477
5-(5-cyclohexyloxypyrazin-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride
CID 167131323
trans-(1S,3S)-3-[[6-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155165052
trans-(1S,3S)-3-[[6-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155144157
trans-(1S,3S)-3-[[6-[3-methyl-4-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155153823
3-[[4-methyl-6-[3-methyl-4-(phenylmethoxycarbonylaminomethyl)-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155144214
trans-(1S,3S)-3-[[6-[4-[[(4-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 142610643
propan-2-yl (1S,3R,5R,6S)-5-[[6-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]bicyclo[4.1.0]heptane-3-carboxylate
CID 155431027
trans-ethyl (1S,3S)-3-(5-bromo-3-methylpyrazin-2-yl)oxycyclopentane-1-carboxylate
CID 150563040

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate (CID 175084700) is ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate is CCOC(=O)C1CCCC(Oc2cnc(-c3onc(C)c3CO)cn2)C1.
What is the InChIKey of ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate?
The InChIKey is UJXKVPSCEPPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-3-24-18(23)12-5-4-6-13(7-12)25-16-9-19-15(8-20-16)17-14(10-22)11(2)21-26-17/h8-9,12-13,22H,3-7,10H2,1-2H3.
What are the key properties of ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate?
ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 175084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).