4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline

C13H15N3O — CID 3692244

IUPAC4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C13H15N3O/c1-16(2)11-7-5-10(6-8-11)13-15-14-12(17-13)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyNWPYFHHMGOUESC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds3

About 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline (PubChem CID 3692244) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
PubChem CID3692244
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(C3CC3)o2)cc1
InChIInChI=1S/C13H15N3O/c1-16(2)11-7-5-10(6-8-11)13-15-14-12(17-13)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyNWPYFHHMGOUESC-UHFFFAOYSA-N
XLogP2.68
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615772
4-[5-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 51137783
N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 75615538
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline (CID 3692244) is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is NWPYFHHMGOUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(2)11-7-5-10(6-8-11)13-15-14-12(17-13)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline?
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 229.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 3692244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).