2-(cyclobutylmethyl)-5-methyl-1,3-oxazole

C9H13NO — CID 119055129

IUPAC2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(CC2CCC2)o1
InChIInChI=1S/C9H13NO/c1-7-6-10-9(11-7)5-8-3-2-4-8/h6,8H,2-5H2,1H3
InChIKeyMVUWZNSHMVKZAT-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.33
Rot. Bonds2

About 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole

2-(cyclobutylmethyl)-5-methyl-1,3-oxazole (PubChem CID 119055129) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
PubChem CID119055129
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(CC2CCC2)o1
InChIInChI=1S/C9H13NO/c1-7-6-10-9(11-7)5-8-3-2-4-8/h6,8H,2-5H2,1H3
InChIKeyMVUWZNSHMVKZAT-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
CID 84590864
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole (CID 119055129) is 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole is Cc1cnc(CC2CCC2)o1.
What is the InChIKey of 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole?
The InChIKey is MVUWZNSHMVKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-6-10-9(11-7)5-8-3-2-4-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole?
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 119055129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).