1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea

C15H20N4O2 — CID 138006983

IUPAC1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea
SMILESCCCN(C)C(=O)NC(Cc1ccccc1)c1ncon1
InChIInChI=1S/C15H20N4O2/c1-3-9-19(2)15(20)17-13(14-16-11-21-18-14)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyNNRDHPYXNLJWKO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea

1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea (PubChem CID 138006983) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea.

Molecular Properties

Compound Name1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea
PubChem CID138006983
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea
SMILESCCCN(C)C(=O)NC(Cc1ccccc1)c1ncon1
InChIInChI=1S/C15H20N4O2/c1-3-9-19(2)15(20)17-13(14-16-11-21-18-14)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyNNRDHPYXNLJWKO-UHFFFAOYSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45267348
Mbysligcuylpaw-uhfffaoysa-
CID 14978594
3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine
CID 50905562
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-phenylpropyl)piperidin-3-amine
CID 53591121
(3,4-Difluorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757734
1-((3-Methyl-1,2,4-oxadiazol-5-yl)methyl)-3-(3-phenylpropyl)urea
CID 49722534
3-Benzyl-1,2,4-oxadiazole
CID 20068908
3-Benzyl-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75452414
N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 75512846
3-[(3-fluorophenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594660
3-[(4-Fluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole
CID 118396399
3-[(3,4-Difluorophenyl)methyl]-5-piperazin-1-yl-1,2,4-oxadiazole
CID 118396413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea?
The IUPAC name of 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea (CID 138006983) is 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea.
What is the SMILES notation for 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea?
The canonical SMILES for 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea is CCCN(C)C(=O)NC(Cc1ccccc1)c1ncon1.
What is the InChIKey of 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea?
The InChIKey is NNRDHPYXNLJWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-19(2)15(20)17-13(14-16-11-21-18-14)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,17,20).
What are the key properties of 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea?
1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1,2,4-oxadiazol-3-yl)-2-phenylethyl]-1-propylurea is sourced from PubChem (CID 138006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).