2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

C13H18N2O2 — CID 79097360

IUPAC2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCc1cc(Cn2ccc(C(O)C(C)C)c2)on1
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)11-4-5-15(7-11)8-12-6-10(3)14-17-12/h4-7,9,13,16H,8H2,1-3H3
InChIKeyKPFDOAUGABLSOH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79097360) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79097360
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCc1cc(Cn2ccc(C(O)C(C)C)c2)on1
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)11-4-5-15(7-11)8-12-6-10(3)14-17-12/h4-7,9,13,16H,8H2,1-3H3
InChIKeyKPFDOAUGABLSOH-UHFFFAOYSA-N
XLogP2.52
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79097360) is 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is Cc1cc(Cn2ccc(C(O)C(C)C)c2)on1.
What is the InChIKey of 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is KPFDOAUGABLSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)13(16)11-4-5-15(7-11)8-12-6-10(3)14-17-12/h4-7,9,13,16H,8H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).