1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea

C14H18N4O2 — CID 54347886

IUPAC1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCC(C)c1nc(-c2cccc(NC(=O)N(C)C)c2)no1
InChIInChI=1S/C14H18N4O2/c1-9(2)13-16-12(17-20-13)10-6-5-7-11(8-10)15-14(19)18(3)4/h5-9H,1-4H3,(H,15,19)
InChIKeyUDPAYSUIKZDPHY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.95
Rot. Bonds3

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

1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 54347886) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID54347886
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCC(C)c1nc(-c2cccc(NC(=O)N(C)C)c2)no1
InChIInChI=1S/C14H18N4O2/c1-9(2)13-16-12(17-20-13)10-6-5-7-11(8-10)15-14(19)18(3)4/h5-9H,1-4H3,(H,15,19)
InChIKeyUDPAYSUIKZDPHY-UHFFFAOYSA-N
XLogP2.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 54347886) is 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is CC(C)c1nc(-c2cccc(NC(=O)N(C)C)c2)no1.
What is the InChIKey of 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is UDPAYSUIKZDPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)13-16-12(17-20-13)10-6-5-7-11(8-10)15-14(19)18(3)4/h5-9H,1-4H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 54347886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).