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

C11H16N4O — CID 75483609

IUPACN-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccn2C)o1
InChIInChI=1S/C11H16N4O/c1-3-5-10-13-14-11(16-10)12-8-9-6-4-7-15(9)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,14)
InChIKeyQOQZVXJCNUQHQT-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.97
Rot. Bonds5

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

N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75483609) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75483609
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccn2C)o1
InChIInChI=1S/C11H16N4O/c1-3-5-10-13-14-11(16-10)12-8-9-6-4-7-15(9)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,14)
InChIKeyQOQZVXJCNUQHQT-UHFFFAOYSA-N
XLogP1.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75483609) is N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cccn2C)o1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QOQZVXJCNUQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-5-10-13-14-11(16-10)12-8-9-6-4-7-15(9)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,14).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 220.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).