1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C15H17N3O3 — CID 108812547

IUPAC1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H17N3O3/c19-15(16-10-12-7-4-8-20-12)17-14-9-13(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H2,16,17,18,19)
InChIKeyMDTMGWGXOBBVFD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.64
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812547) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812547
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H17N3O3/c19-15(16-10-12-7-4-8-20-12)17-14-9-13(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H2,16,17,18,19)
InChIKeyMDTMGWGXOBBVFD-UHFFFAOYSA-N
XLogP2.64
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 124853722
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
CID 167876369
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 154755202
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812547) is 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(NCC1CCCO1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is MDTMGWGXOBBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(16-10-12-7-4-8-20-12)17-14-9-13(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H2,16,17,18,19).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).