N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

C14H13N5O — CID 72848464

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESc1ccc(Cc2nc(CNc3ncccn3)no2)cc1
InChIInChI=1S/C14H13N5O/c1-2-5-11(6-3-1)9-13-18-12(19-20-13)10-17-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,15,16,17)
InChIKeyOASZNLAGYWGOHW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.06
Rot. Bonds5

About N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 72848464) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID72848464
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESc1ccc(Cc2nc(CNc3ncccn3)no2)cc1
InChIInChI=1S/C14H13N5O/c1-2-5-11(6-3-1)9-13-18-12(19-20-13)10-17-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,15,16,17)
InChIKeyOASZNLAGYWGOHW-UHFFFAOYSA-N
XLogP2.06
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (CID 72848464) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is c1ccc(Cc2nc(CNc3ncccn3)no2)cc1.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is OASZNLAGYWGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-5-11(6-3-1)9-13-18-12(19-20-13)10-17-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,15,16,17).
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72848464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).