5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 106971055

IUPAC5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(N(C)c2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C15H20N4O/c1-3-11-4-8-13(9-5-11)19(2)15-18-17-14(20-15)10-16-12-6-7-12/h4-5,8-9,12,16H,3,6-7,10H2,1-2H3
InChIKeyCHJPFTQFBWGPTC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106971055) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106971055
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(N(C)c2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C15H20N4O/c1-3-11-4-8-13(9-5-11)19(2)15-18-17-14(20-15)10-16-12-6-7-12/h4-5,8-9,12,16H,3,6-7,10H2,1-2H3
InChIKeyCHJPFTQFBWGPTC-UHFFFAOYSA-N
XLogP2.65
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106959586
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436823
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 106959575
N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961055
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960156
N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106971055) is 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine is CCc1ccc(N(C)c2nnc(CNC3CC3)o2)cc1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CHJPFTQFBWGPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11-4-8-13(9-5-11)19(2)15-18-17-14(20-15)10-16-12-6-7-12/h4-5,8-9,12,16H,3,6-7,10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).