1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

C19H28N4O3 — CID 60614436

IUPAC1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCCC(NC(=O)NCCCc1nc(C(C)C)no1)c1ccc(OC)cc1
InChIInChI=1S/C19H28N4O3/c1-5-16(14-8-10-15(25-4)11-9-14)21-19(24)20-12-6-7-17-22-18(13(2)3)23-26-17/h8-11,13,16H,5-7,12H2,1-4H3,(H2,20,21,24)
InChIKeyCNIBHEPVELYUJM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.58
Rot. Bonds9

About 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 60614436) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID60614436
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCCC(NC(=O)NCCCc1nc(C(C)C)no1)c1ccc(OC)cc1
InChIInChI=1S/C19H28N4O3/c1-5-16(14-8-10-15(25-4)11-9-14)21-19(24)20-12-6-7-17-22-18(13(2)3)23-26-17/h8-11,13,16H,5-7,12H2,1-4H3,(H2,20,21,24)
InChIKeyCNIBHEPVELYUJM-UHFFFAOYSA-N
XLogP3.58
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 109389996
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 56519182
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95904993
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111878395
1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 49032240
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 60614436) is 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is CCC(NC(=O)NCCCc1nc(C(C)C)no1)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is CNIBHEPVELYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-16(14-8-10-15(25-4)11-9-14)21-19(24)20-12-6-7-17-22-18(13(2)3)23-26-17/h8-11,13,16H,5-7,12H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 360.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 60614436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).