1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea

C15H20N4O2 — CID 100749125

IUPAC1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1nc(-c2ccccc2C)no1
InChIInChI=1S/C15H20N4O2/c1-4-9-16-15(20)19(3)10-13-17-14(18-21-13)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyRBJUPWHPTNWRFC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds5

About 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea

1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea (PubChem CID 100749125) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
PubChem CID100749125
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1nc(-c2ccccc2C)no1
InChIInChI=1S/C15H20N4O2/c1-4-9-16-15(20)19(3)10-13-17-14(18-21-13)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyRBJUPWHPTNWRFC-UHFFFAOYSA-N
XLogP2.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417
2-methoxy-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 99639452
3-(2-fluorophenyl)-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100510611
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylthiourea
CID 17275437
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 27261038
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50979608

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea?
The IUPAC name of 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea (CID 100749125) is 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea?
The canonical SMILES for 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea is CCCNC(=O)N(C)Cc1nc(-c2ccccc2C)no1.
What is the InChIKey of 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea?
The InChIKey is RBJUPWHPTNWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-9-16-15(20)19(3)10-13-17-14(18-21-13)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea?
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea has a molecular weight of 288.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea is sourced from PubChem (CID 100749125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).