3-methyl-5-(oxan-4-yl)-1,2-oxazole

C9H13NO2 — CID 116869005

IUPAC3-methyl-5-(oxan-4-yl)-1,2-oxazole
SMILESCc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H13NO2/c1-7-6-9(12-10-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3
InChIKeyDYCPYTPNQVPYAW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.88
Rot. Bonds1

About 3-methyl-5-(oxan-4-yl)-1,2-oxazole

3-methyl-5-(oxan-4-yl)-1,2-oxazole (PubChem CID 116869005) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-5-(oxan-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(oxan-4-yl)-1,2-oxazole
PubChem CID116869005
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-methyl-5-(oxan-4-yl)-1,2-oxazole
SMILESCc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H13NO2/c1-7-6-9(12-10-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3
InChIKeyDYCPYTPNQVPYAW-UHFFFAOYSA-N
XLogP1.88
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
CID 172532662
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
CID 154791593
5-(6-ethyl-5-methyloxocan-4-yl)-3-methyl-1,2-oxazole
CID 146551597
4-(3-methyl-1,2-oxazol-5-yl)-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 166328509
3,3-dicyclopropyl-N-[5-(oxan-4-yl)-1,2-oxazol-3-yl]propanamide
CID 163422930
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366
3-methyl-5-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 46877829
4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
CID 67836870
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol
CID 70280547
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-4-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(oxan-4-yl)-1,2-oxazole (CID 116869005) is 3-methyl-5-(oxan-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(oxan-4-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(oxan-4-yl)-1,2-oxazole is Cc1cc(C2CCOCC2)on1.
What is the InChIKey of 3-methyl-5-(oxan-4-yl)-1,2-oxazole?
The InChIKey is DYCPYTPNQVPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-6-9(12-10-7)8-2-4-11-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(oxan-4-yl)-1,2-oxazole?
3-methyl-5-(oxan-4-yl)-1,2-oxazole has a molecular weight of 167.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-4-yl)-1,2-oxazole is sourced from PubChem (CID 116869005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).