2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

C14H14N4O — CID 62328746

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCc1noc(-c2ccccc2NCc2ccc[nH]2)n1
InChIInChI=1S/C14H14N4O/c1-10-17-14(19-18-10)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,15-16H,9H2,1H3
InChIKeyCMRZTAMQQRVSDB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62328746) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62328746
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCc1noc(-c2ccccc2NCc2ccc[nH]2)n1
InChIInChI=1S/C14H14N4O/c1-10-17-14(19-18-10)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,15-16H,9H2,1H3
InChIKeyCMRZTAMQQRVSDB-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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Related Compounds

2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
5-(4-Methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 699762
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10332637
2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10421850
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 22493325
5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 57398268

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62328746) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is Cc1noc(-c2ccccc2NCc2ccc[nH]2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is CMRZTAMQQRVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-17-14(19-18-10)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-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-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62328746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).