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

C8H10N4O — CID 107911730

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine
SMILESCc1nc(CNn2cccc2)no1
InChIInChI=1S/C8H10N4O/c1-7-10-8(11-13-7)6-9-12-4-2-3-5-12/h2-5,9H,6H2,1H3
InChIKeyMKAPBUWUOJWWEV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.92
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine (PubChem CID 107911730) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine
PubChem CID107911730
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine
SMILESCc1nc(CNn2cccc2)no1
InChIInChI=1S/C8H10N4O/c1-7-10-8(11-13-7)6-9-12-4-2-3-5-12/h2-5,9H,6H2,1H3
InChIKeyMKAPBUWUOJWWEV-UHFFFAOYSA-N
XLogP0.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 96751951
1-methyl-4-({5-[2-(1H-pyrrol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine
CID 56715074
3-Methyl-5-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 61861900
3-Propyl-5-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63810809
5-Ethyl-3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63810810
5-Propan-2-yl-3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63810969
5-Methyl-3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63811281
3-Ethyl-5-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63811282
3-Propan-2-yl-5-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63811924
5-Propyl-3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazole
CID 63812267
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66398345
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403662

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine (CID 107911730) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine is Cc1nc(CNn2cccc2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine?
The InChIKey is MKAPBUWUOJWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-7-10-8(11-13-7)6-9-12-4-2-3-5-12/h2-5,9H,6H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine has a molecular weight of 178.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 107911730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).