1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea

C18H18N4O5 — CID 125157030

IUPAC1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESO=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C18H18N4O5/c23-13-6-9-26-14-4-3-11(10-12(13)14)20-18(24)19-7-5-16-21-17(27-22-16)15-2-1-8-25-15/h3-4,6,9-10,15H,1-2,5,7-8H2,(H2,19,20,24)/t15-/m1/s1
InChIKeyAPSFBSUYOLQVRZ-OAHLLOKOSA-N
MW370.37 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea

1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 125157030) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID125157030
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESO=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C18H18N4O5/c23-13-6-9-26-14-4-3-11(10-12(13)14)20-18(24)19-7-5-16-21-17(27-22-16)15-2-1-8-25-15/h3-4,6,9-10,15H,1-2,5,7-8H2,(H2,19,20,24)/t15-/m1/s1
InChIKeyAPSFBSUYOLQVRZ-OAHLLOKOSA-N
XLogP2.39
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 72926461
1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 125167570
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 74249924
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
CID 97151461
2-(4-chloro-2-methylphenoxy)-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 99928923
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 118771328
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125164554

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 125157030) is 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccc2occc(=O)c2c1.
What is the InChIKey of 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is APSFBSUYOLQVRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-13-6-9-26-14-4-3-11(10-12(13)14)20-18(24)19-7-5-16-21-17(27-22-16)15-2-1-8-25-15/h3-4,6,9-10,15H,1-2,5,7-8H2,(H2,19,20,24)/t15-/m1/s1.
What are the key properties of 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 370.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 125157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).