1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea

C20H22N4O3 — CID 50778295

IUPAC1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc1
InChIInChI=1S/C20H22N4O3/c1-4-26-17-10-8-14(9-11-17)19-23-18(24-27-19)15-6-5-7-16(12-15)22-20(25)21-13(2)3/h5-13H,4H2,1-3H3,(H2,21,22,25)
InChIKeyRVWDBQGBEPRURH-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.33
Rot. Bonds6

About 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea

1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea (PubChem CID 50778295) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
PubChem CID50778295
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
SMILESCCOc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc1
InChIInChI=1S/C20H22N4O3/c1-4-26-17-10-8-14(9-11-17)19-23-18(24-27-19)15-6-5-7-16(12-15)22-20(25)21-13(2)3/h5-13H,4H2,1-3H3,(H2,21,22,25)
InChIKeyRVWDBQGBEPRURH-UHFFFAOYSA-N
XLogP4.33
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylfuran-3-carboxamide
CID 35521988
1-propan-2-yl-3-[3-[3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 166213388
1-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778432
1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
1-[3-[5-(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 154861667
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea (CID 50778295) is 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea is CCOc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc1.
What is the InChIKey of 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is RVWDBQGBEPRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-26-17-10-8-14(9-11-17)19-23-18(24-27-19)15-6-5-7-16(12-15)22-20(25)21-13(2)3/h5-13H,4H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea?
1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 366.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 50778295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).