2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline

C14H14N4O — CID 66410267

IUPAC2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1cc[nH]c1
InChIInChI=1S/C14H14N4O/c1-10-6-12(14-18-17-9-19-14)2-3-13(10)16-8-11-4-5-15-7-11/h2-7,9,15-16H,8H2,1H3
InChIKeyGQFGODXFCWCFJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline

2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66410267) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66410267
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCc1cc(-c2nnco2)ccc1NCc1cc[nH]c1
InChIInChI=1S/C14H14N4O/c1-10-6-12(14-18-17-9-19-14)2-3-13(10)16-8-11-4-5-15-7-11/h2-7,9,15-16H,8H2,1H3
InChIKeyGQFGODXFCWCFJV-UHFFFAOYSA-N
XLogP2.99
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66410267) is 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline is Cc1cc(-c2nnco2)ccc1NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is GQFGODXFCWCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-6-12(14-18-17-9-19-14)2-3-13(10)16-8-11-4-5-15-7-11/h2-7,9,15-16H,8H2,1H3.
What are the key properties of 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline?
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66410267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).