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

C14H18N4O2 — CID 17275261

IUPAC1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-3-9-15-14(19)18(2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,19)
InChIKeyLYHBTAFCNIHQTO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds5

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

1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea (PubChem CID 17275261) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
PubChem CID17275261
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-3-9-15-14(19)18(2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,19)
InChIKeyLYHBTAFCNIHQTO-UHFFFAOYSA-N
XLogP2.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylthiourea
CID 17275437
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 100749125
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
2-(methanesulfonamido)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70716129
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 121499485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea?
The IUPAC name of 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea (CID 17275261) is 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea?
The canonical SMILES for 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea is CCCNC(=O)N(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea?
The InChIKey is LYHBTAFCNIHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-9-15-14(19)18(2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea?
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea has a molecular weight of 274.32 g/mol, XLogP of 2.29, 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea is sourced from PubChem (CID 17275261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).