5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol

C14H17N3O3 — CID 79733045

IUPAC5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc(CCNC3CC3)o2)cc1O
InChIInChI=1S/C14H17N3O3/c1-19-12-5-2-9(8-11(12)18)14-17-16-13(20-14)6-7-15-10-3-4-10/h2,5,8,10,15,18H,3-4,6-7H2,1H3
InChIKeyDNLLAPMVMDUQIS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.75
Rot. Bonds6

About 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol

5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol (PubChem CID 79733045) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol
PubChem CID79733045
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc(CCNC3CC3)o2)cc1O
InChIInChI=1S/C14H17N3O3/c1-19-12-5-2-9(8-11(12)18)14-17-16-13(20-14)6-7-15-10-3-4-10/h2,5,8,10,15,18H,3-4,6-7H2,1H3
InChIKeyDNLLAPMVMDUQIS-UHFFFAOYSA-N
XLogP1.75
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
N-[2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044350
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
N-[2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62164852
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163806
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163795
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 81124681
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol (CID 79733045) is 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol is COc1ccc(-c2nnc(CCNC3CC3)o2)cc1O.
What is the InChIKey of 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol?
The InChIKey is DNLLAPMVMDUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-5-2-9(8-11(12)18)14-17-16-13(20-14)6-7-15-10-3-4-10/h2,5,8,10,15,18H,3-4,6-7H2,1H3.
What are the key properties of 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol?
5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol has a molecular weight of 275.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 79733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).