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

C13H13N5O — CID 43663669

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1[nH]ncc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H13N5O/c1-9-11(7-15-17-9)6-14-12-4-2-10(3-5-12)13-18-16-8-19-13/h2-5,7-8,14H,6H2,1H3,(H,15,17)
InChIKeyWQUBDNYOYMFSIE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.38
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43663669) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43663669
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1[nH]ncc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H13N5O/c1-9-11(7-15-17-9)6-14-12-4-2-10(3-5-12)13-18-16-8-19-13/h2-5,7-8,14H,6H2,1H3,(H,15,17)
InChIKeyWQUBDNYOYMFSIE-UHFFFAOYSA-N
XLogP2.38
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43663669) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is Cc1[nH]ncc1CNc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is WQUBDNYOYMFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-11(7-15-17-9)6-14-12-4-2-10(3-5-12)13-18-16-8-19-13/h2-5,7-8,14H,6H2,1H3,(H,15,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 255.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43663669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).