5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

C14H11N5O — CID 43622149

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(-c3ccc4c(c3)CCN4)n2)nc1
InChIInChI=1S/C14H11N5O/c1-5-16-12(17-6-1)13-18-14(20-19-13)10-2-3-11-9(8-10)4-7-15-11/h1-3,5-6,8,15H,4,7H2
InChIKeyBTYDHGGKHHRXHC-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.16
Rot. Bonds2

About 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 43622149) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID43622149
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(-c3ccc4c(c3)CCN4)n2)nc1
InChIInChI=1S/C14H11N5O/c1-5-16-12(17-6-1)13-18-14(20-19-13)10-2-3-11-9(8-10)4-7-15-11/h1-3,5-6,8,15H,4,7H2
InChIKeyBTYDHGGKHHRXHC-UHFFFAOYSA-N
XLogP2.16
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268
5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43325498
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
CID 65353424
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116703929
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 64539406
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 113382399
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 43622149) is 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is c1cnc(-c2noc(-c3ccc4c(c3)CCN4)n2)nc1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is BTYDHGGKHHRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-5-16-12(17-6-1)13-18-14(20-19-13)10-2-3-11-9(8-10)4-7-15-11/h1-3,5-6,8,15H,4,7H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43622149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).