1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea

C14H18N4O2 — CID 110322216

IUPAC1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)N(C)C)o1
InChIInChI=1S/C14H18N4O2/c1-10-16-17-13(20-10)12(15-14(19)18(2)3)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,15,19)
InChIKeyZLXPRMWHGNPRHZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.93
Rot. Bonds4

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

1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea (PubChem CID 110322216) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
PubChem CID110322216
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)N(C)C)o1
InChIInChI=1S/C14H18N4O2/c1-10-16-17-13(20-10)12(15-14(19)18(2)3)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,15,19)
InChIKeyZLXPRMWHGNPRHZ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322168
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
CID 110322181
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1,3-benzodioxole-5-carboxamide
CID 110322203
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099643
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099644
4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322240
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea (CID 110322216) is 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea is Cc1nnc(C(Cc2ccccc2)NC(=O)N(C)C)o1.
What is the InChIKey of 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea?
The InChIKey is ZLXPRMWHGNPRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-16-17-13(20-10)12(15-14(19)18(2)3)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea?
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.93, 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-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea is sourced from PubChem (CID 110322216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).