3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole

C13H19NO3 — CID 164718904

IUPAC3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
SMILESc1c(CC2CC2)noc1COC1CCCCO1
InChIInChI=1S/C13H19NO3/c1-2-6-15-13(3-1)16-9-12-8-11(14-17-12)7-10-4-5-10/h8,10,13H,1-7,9H2
InChIKeyXOHBHMABCIVZOQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.67
Rot. Bonds5

About 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole

3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole (PubChem CID 164718904) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
PubChem CID164718904
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
SMILESc1c(CC2CC2)noc1COC1CCCCO1
InChIInChI=1S/C13H19NO3/c1-2-6-15-13(3-1)16-9-12-8-11(14-17-12)7-10-4-5-10/h8,10,13H,1-7,9H2
InChIKeyXOHBHMABCIVZOQ-UHFFFAOYSA-N
XLogP2.67
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
CID 66952939
3-[3-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]benzoic acid
CID 18548803
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
CID 126752253
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
6-(oxan-2-yloxymethyl)-1H-furo[2,3-d]pyrimidin-2-one
CID 141036139

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole (CID 164718904) is 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole is c1c(CC2CC2)noc1COC1CCCCO1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole?
The InChIKey is XOHBHMABCIVZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-6-15-13(3-1)16-9-12-8-11(14-17-12)7-10-4-5-10/h8,10,13H,1-7,9H2.
What are the key properties of 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole?
3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole has a molecular weight of 237.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 164718904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).