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

C11H15N3O — CID 66406304

IUPACN-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2cc(C)on2)c1
InChIInChI=1S/C11H15N3O/c1-9-5-11(13-15-9)8-14-4-3-10(7-14)6-12-2/h3-5,7,12H,6,8H2,1-2H3
InChIKeySXGQKYRSGRNHCN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.55
Rot. Bonds4

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

N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66406304) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID66406304
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2cc(C)on2)c1
InChIInChI=1S/C11H15N3O/c1-9-5-11(13-15-9)8-14-4-3-10(7-14)6-12-2/h3-5,7,12H,6,8H2,1-2H3
InChIKeySXGQKYRSGRNHCN-UHFFFAOYSA-N
XLogP1.55
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.55
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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine (CID 66406304) is N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine is CNCc1ccn(Cc2cc(C)on2)c1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is SXGQKYRSGRNHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-5-11(13-15-9)8-14-4-3-10(7-14)6-12-2/h3-5,7,12H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine?
N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.55, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).