N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine

C14H19N3O — CID 170866028

IUPACN,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
SMILESCc1nc(-c2cccc(CCCN(C)C)c2)no1
InChIInChI=1S/C14H19N3O/c1-11-15-14(16-18-11)13-8-4-6-12(10-13)7-5-9-17(2)3/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyCSFSKFYRIIPSGB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.54
Rot. Bonds5

About N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine

N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine (PubChem CID 170866028) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
PubChem CID170866028
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
SMILESCc1nc(-c2cccc(CCCN(C)C)c2)no1
InChIInChI=1S/C14H19N3O/c1-11-15-14(16-18-11)13-8-4-6-12(10-13)7-5-9-17(2)3/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyCSFSKFYRIIPSGB-UHFFFAOYSA-N
XLogP2.54
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
CID 11149259
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 158020415
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamate
CID 71656625
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547
3-[3,5-bis[5-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 59491909

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine (CID 170866028) is N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine is Cc1nc(-c2cccc(CCCN(C)C)c2)no1.
What is the InChIKey of N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The InChIKey is CSFSKFYRIIPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-15-14(16-18-11)13-8-4-6-12(10-13)7-5-9-17(2)3/h4,6,8,10H,5,7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 170866028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).