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

C14H22N4O — CID 66405357

IUPACN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2noc(C(C)C)n2)c1
InChIInChI=1S/C14H22N4O/c1-10(2)14-16-13(17-19-14)9-18-6-5-12(8-18)7-15-11(3)4/h5-6,8,10-11,15H,7,9H2,1-4H3
InChIKeyNKTVESKQXNEMHR-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.54
Rot. Bonds6

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

N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66405357) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66405357
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2noc(C(C)C)n2)c1
InChIInChI=1S/C14H22N4O/c1-10(2)14-16-13(17-19-14)9-18-6-5-12(8-18)7-15-11(3)4/h5-6,8,10-11,15H,7,9H2,1-4H3
InChIKeyNKTVESKQXNEMHR-UHFFFAOYSA-N
XLogP2.54
TPSA55.88 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66405357) is N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(Cc2noc(C(C)C)n2)c1.
What is the InChIKey of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is NKTVESKQXNEMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)14-16-13(17-19-14)9-18-6-5-12(8-18)7-15-11(3)4/h5-6,8,10-11,15H,7,9H2,1-4H3.
What are the key properties of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66405357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).