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

C14H16N4O2 — CID 166265848

IUPAC1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
SMILESCc1nc(-c2ccc(CNC(=O)NC3CC3)cc2)no1
InChIInChI=1S/C14H16N4O2/c1-9-16-13(18-20-9)11-4-2-10(3-5-11)8-15-14(19)17-12-6-7-12/h2-5,12H,6-8H2,1H3,(H2,15,17,19)
InChIKeyFZPABZZUVHGNSJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.01
Rot. Bonds4

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

1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea (PubChem CID 166265848) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
PubChem CID166265848
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
SMILESCc1nc(-c2ccc(CNC(=O)NC3CC3)cc2)no1
InChIInChI=1S/C14H16N4O2/c1-9-16-13(18-20-9)11-4-2-10(3-5-11)8-15-14(19)17-12-6-7-12/h2-5,12H,6-8H2,1H3,(H2,15,17,19)
InChIKeyFZPABZZUVHGNSJ-UHFFFAOYSA-N
XLogP2.01
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91780894
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778268
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
(2R)-N-[(4-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 92893367
(4S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580007
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea (CID 166265848) is 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea is Cc1nc(-c2ccc(CNC(=O)NC3CC3)cc2)no1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea?
The InChIKey is FZPABZZUVHGNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-16-13(18-20-9)11-4-2-10(3-5-11)8-15-14(19)17-12-6-7-12/h2-5,12H,6-8H2,1H3,(H2,15,17,19).
What are the key properties of 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea?
1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea has a molecular weight of 272.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea is sourced from PubChem (CID 166265848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).