[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea

C14H17N5O2 — CID 168533869

IUPAC[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea
SMILESCCCCc1nnc(-c2ccc(C=NNC(N)=O)cc2)o1
InChIInChI=1S/C14H17N5O2/c1-2-3-4-12-17-18-13(21-12)11-7-5-10(6-8-11)9-16-19-14(15)20/h5-9H,2-4H2,1H3,(H3,15,19,20)
InChIKeyDNECQRSCSVVCSA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.08
Rot. Bonds6

About [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea

[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea (PubChem CID 168533869) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea
PubChem CID168533869
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea
SMILESCCCCc1nnc(-c2ccc(C=NNC(N)=O)cc2)o1
InChIInChI=1S/C14H17N5O2/c1-2-3-4-12-17-18-13(21-12)11-7-5-10(6-8-11)9-16-19-14(15)20/h5-9H,2-4H2,1H3,(H3,15,19,20)
InChIKeyDNECQRSCSVVCSA-UHFFFAOYSA-N
XLogP2.08
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574815
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
CID 168533746
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
2-(4-azidophenyl)-5-butyl-1,3,4-oxadiazole
CID 169325370
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(E)-benzylideneamino]urea
CID 6861419

Frequently Asked Questions

What is the IUPAC name of [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea (CID 168533869) is [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea is CCCCc1nnc(-c2ccc(C=NNC(N)=O)cc2)o1.
What is the InChIKey of [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea?
The InChIKey is DNECQRSCSVVCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-3-4-12-17-18-13(21-12)11-7-5-10(6-8-11)9-16-19-14(15)20/h5-9H,2-4H2,1H3,(H3,15,19,20).
What are the key properties of [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea?
[[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea has a molecular weight of 287.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).