2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine

C10H14N4O — CID 107914715

IUPAC2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
SMILESCc1nnc(CNn2c(C)ccc2C)o1
InChIInChI=1S/C10H14N4O/c1-7-4-5-8(2)14(7)11-6-10-13-12-9(3)15-10/h4-5,11H,6H2,1-3H3
InChIKeyBWXJEEWBGDPHNG-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.54
Rot. Bonds3

About 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine

2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine (PubChem CID 107914715) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
PubChem CID107914715
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
SMILESCc1nnc(CNn2c(C)ccc2C)o1
InChIInChI=1S/C10H14N4O/c1-7-4-5-8(2)14(7)11-6-10-13-12-9(3)15-10/h4-5,11H,6H2,1-3H3
InChIKeyBWXJEEWBGDPHNG-UHFFFAOYSA-N
XLogP1.54
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine (CID 107914715) is 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine is Cc1nnc(CNn2c(C)ccc2C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine?
The InChIKey is BWXJEEWBGDPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-4-5-8(2)14(7)11-6-10-13-12-9(3)15-10/h4-5,11H,6H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine?
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine has a molecular weight of 206.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 107914715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).