5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one

C14H15N3O2 — CID 146424934

IUPAC5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc3c(c2)CCN3CC2CC2)o1
InChIInChI=1S/C14H15N3O2/c18-14-16-15-13(19-14)11-3-4-12-10(7-11)5-6-17(12)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)
InChIKeyPWKAOKKQEUPFKK-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds3

About 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 146424934) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID146424934
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc3c(c2)CCN3CC2CC2)o1
InChIInChI=1S/C14H15N3O2/c18-14-16-15-13(19-14)11-3-4-12-10(7-11)5-6-17(12)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)
InChIKeyPWKAOKKQEUPFKK-UHFFFAOYSA-N
XLogP1.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-ol
CID 85956355
5-(1-Methylindolin-6-yl)-1,3,4-oxadiazol-2-ol
CID 146425077
5-(1-Methylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146437789
5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 162676771
5-[4-Morpholino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424925
5-[4-(3,3-Difluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424947
5-[4-Pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424983
5-[4-(3-Fluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146425047
5-(1-Ethylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424975
5-(7-Chloro-1-methyl-indolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146425103
5-(1-Isopropylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146438029
5-(1′-Methylspiro[cyclopropane-1,3′-indolin]-5′-yl)-1,3,4-oxadiazol-2-ol
CID 156436936

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one (CID 146424934) is 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc3c(c2)CCN3CC2CC2)o1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is PWKAOKKQEUPFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14-16-15-13(19-14)11-3-4-12-10(7-11)5-6-17(12)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,16,18).
What are the key properties of 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146424934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).