N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine

C13H18N4OS — CID 66213913

IUPACN-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCCCN(Cc1noc(-c2cccs2)n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-2-5-17(10-7-14-8-10)9-12-15-13(18-16-12)11-4-3-6-19-11/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyOKWVONQFVPIRNN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds6

About N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine

N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine (PubChem CID 66213913) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
PubChem CID66213913
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCCCN(Cc1noc(-c2cccs2)n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-2-5-17(10-7-14-8-10)9-12-15-13(18-16-12)11-4-3-6-19-11/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyOKWVONQFVPIRNN-UHFFFAOYSA-N
XLogP1.98
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79121097
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63300902
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63637158
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 60806481
N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
CID 66182398
5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
CID 107203786
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
3-[(2,5-dimethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 64980601
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine (CID 66213913) is N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine is CCCN(Cc1noc(-c2cccs2)n1)C1CNC1.
What is the InChIKey of N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is OKWVONQFVPIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-17(10-7-14-8-10)9-12-15-13(18-16-12)11-4-3-6-19-11/h3-4,6,10,14H,2,5,7-9H2,1H3.
What are the key properties of N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 278.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 66213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).