N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine

C12H17N3O — CID 79101845

IUPACN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1cc(C)no1
InChIInChI=1S/C12H17N3O/c1-9-7-11(16-14-9)8-15-6-4-5-12(15)10(2)13-3/h4-7,10,13H,8H2,1-3H3
InChIKeyOCRQNRGJIRBQEA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine

N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79101845) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79101845
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1cc(C)no1
InChIInChI=1S/C12H17N3O/c1-9-7-11(16-14-9)8-15-6-4-5-12(15)10(2)13-3/h4-7,10,13H,8H2,1-3H3
InChIKeyOCRQNRGJIRBQEA-UHFFFAOYSA-N
XLogP2.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine (CID 79101845) is N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1cc(C)no1.
What is the InChIKey of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is OCRQNRGJIRBQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-11(16-14-9)8-15-6-4-5-12(15)10(2)13-3/h4-7,10,13H,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79101845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).