1,3-oxazol-2-ylmethyl imidazole-1-carboxylate

C8H7N3O3 — CID 135337160

IUPAC1,3-oxazol-2-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ncco1)n1ccnc1
InChIInChI=1S/C8H7N3O3/c12-8(11-3-1-9-6-11)14-5-7-10-2-4-13-7/h1-4,6H,5H2
InChIKeyIGSHONQESMQVMQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.06
Rot. Bonds2

About 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate

1,3-oxazol-2-ylmethyl imidazole-1-carboxylate (PubChem CID 135337160) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name1,3-oxazol-2-ylmethyl imidazole-1-carboxylate
PubChem CID135337160
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1,3-oxazol-2-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ncco1)n1ccnc1
InChIInChI=1S/C8H7N3O3/c12-8(11-3-1-9-6-11)14-5-7-10-2-4-13-7/h1-4,6H,5H2
InChIKeyIGSHONQESMQVMQ-UHFFFAOYSA-N
XLogP1.06
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate?
The IUPAC name of 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate (CID 135337160) is 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate is O=C(OCc1ncco1)n1ccnc1.
What is the InChIKey of 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate?
The InChIKey is IGSHONQESMQVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-8(11-3-1-9-6-11)14-5-7-10-2-4-13-7/h1-4,6H,5H2.
What are the key properties of 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate?
1,3-oxazol-2-ylmethyl imidazole-1-carboxylate has a molecular weight of 193.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 135337160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).