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

C13H16N4O3 — CID 111507731

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(CO)c2ccccc2)no1
InChIInChI=1S/C13H16N4O3/c1-9-15-12(17-20-9)7-14-13(19)16-11(8-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,16,19)
InChIKeyXVORPAGISFYMOK-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.91
Rot. Bonds5

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

1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 111507731) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID111507731
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(CO)c2ccccc2)no1
InChIInChI=1S/C13H16N4O3/c1-9-15-12(17-20-9)7-14-13(19)16-11(8-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,16,19)
InChIKeyXVORPAGISFYMOK-UHFFFAOYSA-N
XLogP0.91
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71967479
(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
CID 106402767
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)acetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626048

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 111507731) is 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NC(CO)c2ccccc2)no1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is XVORPAGISFYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-15-12(17-20-9)7-14-13(19)16-11(8-18)10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H2,14,16,19).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 276.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 111507731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).