(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone

C12H11NO2S — CID 18996910

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C12H11NO2S/c1-7-4-5-16-12(7)10(14)9-6-13-15-11(9)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyUVFWPRPHDBYXIX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.15
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 18996910) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID18996910
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C12H11NO2S/c1-7-4-5-16-12(7)10(14)9-6-13-15-11(9)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyUVFWPRPHDBYXIX-UHFFFAOYSA-N
XLogP3.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone (CID 18996910) is (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is UVFWPRPHDBYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-4-5-16-12(7)10(14)9-6-13-15-11(9)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 233.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 18996910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).