5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole

C8H13NO — CID 142566315

IUPAC5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(CC2CC2)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10-9-6)5-7-2-3-7/h7-8H,2-5H2,1H3
InChIKeyNBWVYLIPIDAYOQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.95
Rot. Bonds2

About 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole

5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 142566315) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID142566315
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(CC2CC2)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10-9-6)5-7-2-3-7/h7-8H,2-5H2,1H3
InChIKeyNBWVYLIPIDAYOQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 142566315) is 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NBWVYLIPIDAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(10-9-6)5-7-2-3-7/h7-8H,2-5H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 139.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 142566315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).