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

C14H22N4O — CID 79110132

IUPAC1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C14H22N4O/c1-4-5-12(15)11-6-7-18(8-11)9-13-16-14(10(2)3)17-19-13/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyKVBOFHLIKYRHKQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.84
Rot. Bonds6

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

1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79110132) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79110132
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C14H22N4O/c1-4-5-12(15)11-6-7-18(8-11)9-13-16-14(10(2)3)17-19-13/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyKVBOFHLIKYRHKQ-UHFFFAOYSA-N
XLogP2.84
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108091
2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097601
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404925
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108390
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099852
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 104801337
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404405
N,2-dimethyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096970

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine (CID 79110132) is 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(Cc2nc(C(C)C)no2)c1.
What is the InChIKey of 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is KVBOFHLIKYRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-5-12(15)11-6-7-18(8-11)9-13-16-14(10(2)3)17-19-13/h6-8,10,12H,4-5,9,15H2,1-3H3.
What are the key properties of 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine?
1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79110132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).