cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone

C12H12N2O2 — CID 79097838

IUPACcyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2cnoc2)c1)C1CC1
InChIInChI=1S/C12H12N2O2/c15-12(10-1-2-10)11-3-4-14(7-11)6-9-5-13-16-8-9/h3-5,7-8,10H,1-2,6H2
InChIKeyQKZDDBNOTADBPP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.12
Rot. Bonds4

About cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone

cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone (PubChem CID 79097838) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone
PubChem CID79097838
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namecyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2cnoc2)c1)C1CC1
InChIInChI=1S/C12H12N2O2/c15-12(10-1-2-10)11-3-4-14(7-11)6-9-5-13-16-8-9/h3-5,7-8,10H,1-2,6H2
InChIKeyQKZDDBNOTADBPP-UHFFFAOYSA-N
XLogP2.12
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone (CID 79097838) is cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone is O=C(c1ccn(Cc2cnoc2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone?
The InChIKey is QKZDDBNOTADBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(10-1-2-10)11-3-4-14(7-11)6-9-5-13-16-8-9/h3-5,7-8,10H,1-2,6H2.
What are the key properties of cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone?
cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone has a molecular weight of 216.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone is sourced from PubChem (CID 79097838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).