5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole

C10H13NO — CID 166746960

IUPAC5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1C12CCCC1C2
InChIInChI=1S/C10H13NO/c1-7-9(12-6-11-7)10-4-2-3-8(10)5-10/h6,8H,2-5H2,1H3
InChIKeyNSMJWDIKVYVALX-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.42
Rot. Bonds1

About 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole

5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole (PubChem CID 166746960) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole
PubChem CID166746960
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1C12CCCC1C2
InChIInChI=1S/C10H13NO/c1-7-9(12-6-11-7)10-4-2-3-8(10)5-10/h6,8H,2-5H2,1H3
InChIKeyNSMJWDIKVYVALX-UHFFFAOYSA-N
XLogP2.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole (CID 166746960) is 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole is Cc1ncoc1C12CCCC1C2.
What is the InChIKey of 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole?
The InChIKey is NSMJWDIKVYVALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-9(12-6-11-7)10-4-2-3-8(10)5-10/h6,8H,2-5H2,1H3.
What are the key properties of 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole?
5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole has a molecular weight of 163.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[3.1.0]hexanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 166746960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).