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

C14H15N7O — CID 47030233

IUPAC4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1noc(CNc2ccc(-c3nnnn3C3CC3)cc2)n1
InChIInChI=1S/C14H15N7O/c1-9-16-13(22-18-9)8-15-11-4-2-10(3-5-11)14-17-19-20-21(14)12-6-7-12/h2-5,12,15H,6-8H2,1H3
InChIKeyKWJUBCUUDAPJPQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.98
Rot. Bonds5

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

4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 47030233) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID47030233
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1noc(CNc2ccc(-c3nnnn3C3CC3)cc2)n1
InChIInChI=1S/C14H15N7O/c1-9-16-13(22-18-9)8-15-11-4-2-10(3-5-11)14-17-19-20-21(14)12-6-7-12/h2-5,12,15H,6-8H2,1H3
InChIKeyKWJUBCUUDAPJPQ-UHFFFAOYSA-N
XLogP1.98
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 47030233) is 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is Cc1noc(CNc2ccc(-c3nnnn3C3CC3)cc2)n1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is KWJUBCUUDAPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-9-16-13(22-18-9)8-15-11-4-2-10(3-5-11)14-17-19-20-21(14)12-6-7-12/h2-5,12,15H,6-8H2,1H3.
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 297.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 47030233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).