[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol

C11H14N2O2 — CID 66397852

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1noc(C)c1Cn1ccc(CO)c1
InChIInChI=1S/C11H14N2O2/c1-8-11(9(2)15-12-8)6-13-4-3-10(5-13)7-14/h3-5,14H,6-7H2,1-2H3
InChIKeyRSDRNCJZYFLCHV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.63
Rot. Bonds3

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66397852) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66397852
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1noc(C)c1Cn1ccc(CO)c1
InChIInChI=1S/C11H14N2O2/c1-8-11(9(2)15-12-8)6-13-4-3-10(5-13)7-14/h3-5,14H,6-7H2,1-2H3
InChIKeyRSDRNCJZYFLCHV-UHFFFAOYSA-N
XLogP1.63
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol (CID 66397852) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol is Cc1noc(C)c1Cn1ccc(CO)c1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is RSDRNCJZYFLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-11(9(2)15-12-8)6-13-4-3-10(5-13)7-14/h3-5,14H,6-7H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 206.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66397852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).