2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine

C11H15N3O — CID 82283031

IUPAC2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1-c1ccn(C)c1
InChIInChI=1S/C11H15N3O/c1-8-11(9-4-6-14(2)7-9)13-10(15-8)3-5-12/h4,6-7H,3,5,12H2,1-2H3
InChIKeySDILQWSTBJRMOG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds3

About 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82283031) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82283031
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1-c1ccn(C)c1
InChIInChI=1S/C11H15N3O/c1-8-11(9-4-6-14(2)7-9)13-10(15-8)3-5-12/h4,6-7H,3,5,12H2,1-2H3
InChIKeySDILQWSTBJRMOG-UHFFFAOYSA-N
XLogP1.49
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 82283031) is 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine is Cc1oc(CCN)nc1-c1ccn(C)c1.
What is the InChIKey of 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is SDILQWSTBJRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-11(9-4-6-14(2)7-9)13-10(15-8)3-5-12/h4,6-7H,3,5,12H2,1-2H3.
What are the key properties of 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(1-methylpyrrol-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82283031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).