1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C20H20N4O3 — CID 20974342

IUPAC1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESO=C(NCC1CCCO1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N4O3/c25-20(21-13-17-10-5-11-26-17)22-16-9-4-8-15(12-16)19-24-23-18(27-19)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H2,21,22,25)
InChIKeyFMRYYESPTHTKTJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.70
Rot. Bonds5

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

1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 20974342) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID20974342
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESO=C(NCC1CCCO1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N4O3/c25-20(21-13-17-10-5-11-26-17)22-16-9-4-8-15(12-16)19-24-23-18(27-19)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H2,21,22,25)
InChIKeyFMRYYESPTHTKTJ-UHFFFAOYSA-N
XLogP3.70
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 118764097
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 20974342) is 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is O=C(NCC1CCCO1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is FMRYYESPTHTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(21-13-17-10-5-11-26-17)22-16-9-4-8-15(12-16)19-24-23-18(27-19)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H2,21,22,25).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 364.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 20974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).