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

C13H18N2O2 — CID 79109391

IUPAC1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2cc(C)no2)c1
InChIInChI=1S/C13H18N2O2/c1-3-4-13(16)11-5-6-15(8-11)9-12-7-10(2)14-17-12/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyZKCNUAKTYHDFMI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.67
Rot. Bonds5

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

1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol (PubChem CID 79109391) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
PubChem CID79109391
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2cc(C)no2)c1
InChIInChI=1S/C13H18N2O2/c1-3-4-13(16)11-5-6-15(8-11)9-12-7-10(2)14-17-12/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyZKCNUAKTYHDFMI-UHFFFAOYSA-N
XLogP2.67
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79107982
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
CID 82895596
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 106865848
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108236
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108378
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108230
4-[[3-(1-hydroxybutyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
CID 79108225
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol (CID 79109391) is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(Cc2cc(C)no2)c1.
What is the InChIKey of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol?
The InChIKey is ZKCNUAKTYHDFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-13(16)11-5-6-15(8-11)9-12-7-10(2)14-17-12/h5-8,13,16H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol?
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79109391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).