1,2-oxazol-5-yl cyclopropanecarboxylate

C7H7NO3 — CID 142549208

IUPAC1,2-oxazol-5-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccno1)C1CC1
InChIInChI=1S/C7H7NO3/c9-7(5-1-2-5)10-6-3-4-8-11-6/h3-5H,1-2H2
InChIKeyHSJJDMPDSKPCJO-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.99
Rot. Bonds2

About 1,2-oxazol-5-yl cyclopropanecarboxylate

1,2-oxazol-5-yl cyclopropanecarboxylate (PubChem CID 142549208) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1,2-oxazol-5-yl cyclopropanecarboxylate.

Molecular Properties

Compound Name1,2-oxazol-5-yl cyclopropanecarboxylate
PubChem CID142549208
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1,2-oxazol-5-yl cyclopropanecarboxylate
SMILESO=C(Oc1ccno1)C1CC1
InChIInChI=1S/C7H7NO3/c9-7(5-1-2-5)10-6-3-4-8-11-6/h3-5H,1-2H2
InChIKeyHSJJDMPDSKPCJO-UHFFFAOYSA-N
XLogP0.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
N-(1,2-oxazol-5-yl)cyclobutanecarboxamide
CID 126996478
1-[5-(difluoromethyl)furan-2-yl]prop-2-ynyl cyclopropanecarboxylate
CID 139627941
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
[4-(4-hydroxycyclohexanecarbonyl)oxyphenyl] 4-aminocyclohexane-1-carboxylate
CID 163578474
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl cyclopropanecarboxylate?
The IUPAC name of 1,2-oxazol-5-yl cyclopropanecarboxylate (CID 142549208) is 1,2-oxazol-5-yl cyclopropanecarboxylate.
What is the SMILES notation for 1,2-oxazol-5-yl cyclopropanecarboxylate?
The canonical SMILES for 1,2-oxazol-5-yl cyclopropanecarboxylate is O=C(Oc1ccno1)C1CC1.
What is the InChIKey of 1,2-oxazol-5-yl cyclopropanecarboxylate?
The InChIKey is HSJJDMPDSKPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(5-1-2-5)10-6-3-4-8-11-6/h3-5H,1-2H2.
What are the key properties of 1,2-oxazol-5-yl cyclopropanecarboxylate?
1,2-oxazol-5-yl cyclopropanecarboxylate has a molecular weight of 153.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl cyclopropanecarboxylate is sourced from PubChem (CID 142549208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).