1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C18H26N4O3 — CID 109389996

IUPAC1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCc1ccc(C(CO)NC(=O)NCCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-13-5-7-14(8-6-13)15(11-23)20-18(24)19-10-9-16-21-17(12(2)3)22-25-16/h5-8,12,15,23H,4,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyHEOPLUHPYWFZMN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.33
Rot. Bonds8

About 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 109389996) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID109389996
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCCc1ccc(C(CO)NC(=O)NCCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-13-5-7-14(8-6-13)15(11-23)20-18(24)19-10-9-16-21-17(12(2)3)22-25-16/h5-8,12,15,23H,4,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyHEOPLUHPYWFZMN-UHFFFAOYSA-N
XLogP2.33
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614436
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111564
2-hydroxy-2-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 111538352
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111441048
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95260702
1-[1-(oxolan-2-yl)ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785680
1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111799
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 109379632
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 109389996) is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CCc1ccc(C(CO)NC(=O)NCCc2nc(C(C)C)no2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is HEOPLUHPYWFZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-13-5-7-14(8-6-13)15(11-23)20-18(24)19-10-9-16-21-17(12(2)3)22-25-16/h5-8,12,15,23H,4,9-11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 346.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 109389996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).