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

C14H18N4O2 — CID 54073306

IUPAC1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCCc1nc(-c2cccc(NC(=O)N(C)C)c2)no1
InChIInChI=1S/C14H18N4O2/c1-4-6-12-16-13(17-20-12)10-7-5-8-11(9-10)15-14(19)18(2)3/h5,7-9H,4,6H2,1-3H3,(H,15,19)
InChIKeyMHZDUPDYRUEKSV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.78
Rot. Bonds4

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

1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 54073306) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID54073306
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCCc1nc(-c2cccc(NC(=O)N(C)C)c2)no1
InChIInChI=1S/C14H18N4O2/c1-4-6-12-16-13(17-20-12)10-7-5-8-11(9-10)15-14(19)18(2)3/h5,7-9H,4,6H2,1-3H3,(H,15,19)
InChIKeyMHZDUPDYRUEKSV-UHFFFAOYSA-N
XLogP2.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54347886
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166328689
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 8895902
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 54073306) is 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCCc1nc(-c2cccc(NC(=O)N(C)C)c2)no1.
What is the InChIKey of 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is MHZDUPDYRUEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-6-12-16-13(17-20-12)10-7-5-8-11(9-10)15-14(19)18(2)3/h5,7-9H,4,6H2,1-3H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.78, 4 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-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 54073306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).