ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate

C10H16N2O3 — CID 145298096

IUPACethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCC.COC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyNCNYBXBRVAOSMV-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.17
Rot. Bonds2

About ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate

ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 145298096) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID145298096
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCC.COC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyNCNYBXBRVAOSMV-UHFFFAOYSA-N
XLogP1.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
methyl 2-[2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 170312323
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 105487768
methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate
CID 99842705
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 24862308
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
methyl 2-fluorosulfonyl-1,3-oxazole-4-carboxylate
CID 167728397
methyl 2-[2-[2-[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 24862354

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (CID 145298096) is ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is CC.COC(=O)c1coc(C2CNC2)n1.
What is the InChIKey of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is NCNYBXBRVAOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 145298096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).