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

C13H12N2O3 — CID 18996933

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O3/c1-17-13-9(3-2-6-14-13)11(16)10-7-15-18-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyVAHKDTBLHXQRRI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.19
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 18996933) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID18996933
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C13H12N2O3/c1-17-13-9(3-2-6-14-13)11(16)10-7-15-18-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyVAHKDTBLHXQRRI-UHFFFAOYSA-N
XLogP2.19
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone (CID 18996933) is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is VAHKDTBLHXQRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-13-9(3-2-6-14-13)11(16)10-7-15-18-12(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 244.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 18996933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).