1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine

C14H21N5O — CID 106960890

IUPAC1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nnc(C(C)N)o2)cc1
InChIInChI=1S/C14H21N5O/c1-4-19(5-2)12-8-6-11(7-9-12)16-14-18-17-13(20-14)10(3)15/h6-10H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyZCJUPTOFHHXNNO-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.68
Rot. Bonds6

About 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine

1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 106960890) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID106960890
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nnc(C(C)N)o2)cc1
InChIInChI=1S/C14H21N5O/c1-4-19(5-2)12-8-6-11(7-9-12)16-14-18-17-13(20-14)10(3)15/h6-10H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyZCJUPTOFHHXNNO-UHFFFAOYSA-N
XLogP2.68
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969771
4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966865
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 83962963
1-N-[dimethyl(propan-2-yloxy)silyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 71413629
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 112855591

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine (CID 106960890) is 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(Nc2nnc(C(C)N)o2)cc1.
What is the InChIKey of 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is ZCJUPTOFHHXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-19(5-2)12-8-6-11(7-9-12)16-14-18-17-13(20-14)10(3)15/h6-10H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 106960890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).