4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one

C8H11NO2 — CID 139408537

IUPAC4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1CC1CC1
InChIInChI=1S/C8H11NO2/c1-5-7(4-6-2-3-6)8(10)11-9-5/h6-7H,2-4H2,1H3
InChIKeyCIBRPULSGCAYJI-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.34
Rot. Bonds2

About 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one

4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one (PubChem CID 139408537) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one
PubChem CID139408537
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1CC1CC1
InChIInChI=1S/C8H11NO2/c1-5-7(4-6-2-3-6)8(10)11-9-5/h6-7H,2-4H2,1H3
InChIKeyCIBRPULSGCAYJI-UHFFFAOYSA-N
XLogP1.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one (CID 139408537) is 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one is CC1=NOC(=O)C1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one?
The InChIKey is CIBRPULSGCAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-7(4-6-2-3-6)8(10)11-9-5/h6-7H,2-4H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one?
4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one has a molecular weight of 153.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 139408537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).