2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile

C10H7N5O — CID 106523988

IUPAC2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C10H7N5O/c11-5-6-4-7(6)10-14-9(15-16-10)8-12-2-1-3-13-8/h1-3,6-7H,4H2
InChIKeyRDTGDJGKIIDJCJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.15
Rot. Bonds2

About 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile

2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 106523988) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
PubChem CID106523988
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C10H7N5O/c11-5-6-4-7(6)10-14-9(15-16-10)8-12-2-1-3-13-8/h1-3,6-7H,4H2
InChIKeyRDTGDJGKIIDJCJ-UHFFFAOYSA-N
XLogP1.15
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523670
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524414
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526792
2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526103
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106850712
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
2-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524431
2-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524576
oxalic acid;2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetonitrile
CID 71783954
2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525348

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile (CID 106523988) is 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile is N#CC1CC1c1nc(-c2ncccn2)no1.
What is the InChIKey of 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is RDTGDJGKIIDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-5-6-4-7(6)10-14-9(15-16-10)8-12-2-1-3-13-8/h1-3,6-7H,4H2.
What are the key properties of 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile?
2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 213.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 106523988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).