N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

C14H19ClN4O — CID 106960112

IUPACN-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)Cc2ccccc2Cl)o1
InChIInChI=1S/C14H19ClN4O/c1-4-16-10(2)13-17-18-14(20-13)19(3)9-11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyLSGQWGYGJUHDPY-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960112) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960112
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)Cc2ccccc2Cl)o1
InChIInChI=1S/C14H19ClN4O/c1-4-16-10(2)13-17-18-14(20-13)19(3)9-11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyLSGQWGYGJUHDPY-UHFFFAOYSA-N
XLogP3.03
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970129
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83111933
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-ethyl-5-[1-(ethylamino)ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967971
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
5-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971235
5-[1-(ethylamino)ethyl]-N-(3-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970478
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959489

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960112) is N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(N(C)Cc2ccccc2Cl)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LSGQWGYGJUHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-16-10(2)13-17-18-14(20-13)19(3)9-11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 294.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).