1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C14H18N4O3 — CID 111507733

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(CCO)Cc2ccccc2)no1
InChIInChI=1S/C14H18N4O3/c1-11-16-13(17-21-11)9-15-14(20)18(7-8-19)10-12-5-3-2-4-6-12/h2-6,19H,7-10H2,1H3,(H,15,20)
InChIKeyMISSMSKZASGTNO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds6

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

1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 111507733) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID111507733
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(CCO)Cc2ccccc2)no1
InChIInChI=1S/C14H18N4O3/c1-11-16-13(17-21-11)9-15-14(20)18(7-8-19)10-12-5-3-2-4-6-12/h2-6,19H,7-10H2,1H3,(H,15,20)
InChIKeyMISSMSKZASGTNO-UHFFFAOYSA-N
XLogP1.08
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111619386
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
CID 111439082
2-benzyl-1,1-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111602407

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 111507733) is 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)N(CCO)Cc2ccccc2)no1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is MISSMSKZASGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-11-16-13(17-21-11)9-15-14(20)18(7-8-19)10-12-5-3-2-4-6-12/h2-6,19H,7-10H2,1H3,(H,15,20).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 290.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 111507733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).