2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline

C14H15N5O — CID 43701573

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1cnn(C)c1
InChIInChI=1S/C14H15N5O/c1-10-3-4-12(14-18-16-9-20-14)5-13(10)15-6-11-7-17-19(2)8-11/h3-5,7-9,15H,6H2,1-2H3
InChIKeyAXGJRFQEFJABRY-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701573) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701573
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1cnn(C)c1
InChIInChI=1S/C14H15N5O/c1-10-3-4-12(14-18-16-9-20-14)5-13(10)15-6-11-7-17-19(2)8-11/h3-5,7-9,15H,6H2,1-2H3
InChIKeyAXGJRFQEFJABRY-UHFFFAOYSA-N
XLogP2.39
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701810
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 66133997
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
2-methyl-N-(3-methylsulfanylpropyl)-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701561
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43685075
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
1-benzyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-carboxamide
CID 87045572
N-(dicyclopropylmethyl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701841
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701573) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(-c2nnco2)cc1NCc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is AXGJRFQEFJABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-3-4-12(14-18-16-9-20-14)5-13(10)15-6-11-7-17-19(2)8-11/h3-5,7-9,15H,6H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).