N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

C14H14N4O — CID 66397871

IUPACN-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCn1ccc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C14H14N4O/c1-18-6-5-11(9-18)8-15-13-4-2-3-12(7-13)14-17-16-10-19-14/h2-7,9-10,15H,8H2,1H3
InChIKeyKSCVSJUPRZMZND-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.69
Rot. Bonds4

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

N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 66397871) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID66397871
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCn1ccc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C14H14N4O/c1-18-6-5-11(9-18)8-15-13-4-2-3-12(7-13)14-17-16-10-19-14/h2-7,9-10,15H,8H2,1H3
InChIKeyKSCVSJUPRZMZND-UHFFFAOYSA-N
XLogP2.69
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 66397871) is N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Cn1ccc(CNc2cccc(-c3nnco3)c2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is KSCVSJUPRZMZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-6-5-11(9-18)8-15-13-4-2-3-12(7-13)14-17-16-10-19-14/h2-7,9-10,15H,8H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 66397871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).