1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea

C17H24N4O2 — CID 53055195

IUPAC1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(-c2nc(CCN(C)C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-18-17(22)21(4)10-9-15-19-16(23-20-15)14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyKPASUIJFBFCFPB-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.88
Rot. Bonds6

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

1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea (PubChem CID 53055195) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
PubChem CID53055195
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(-c2nc(CCN(C)C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-18-17(22)21(4)10-9-15-19-16(23-20-15)14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyKPASUIJFBFCFPB-UHFFFAOYSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 46367603
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
CID 53055639
3-(2,4-dimethylphenyl)-1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055339
ethyl (3S)-3-[[methyl-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamoyl]amino]-3-phenylpropanoate
CID 95064664
3-(3-chloro-4-fluorophenyl)-1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055165
N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817998
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620
4-[3-[2-[methyl-[(2-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 50826869
N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 92895190

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea (CID 53055195) is 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea is Cc1ccc(-c2nc(CCN(C)C(=O)NCC(C)C)no2)cc1.
What is the InChIKey of 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea?
The InChIKey is KPASUIJFBFCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)11-18-17(22)21(4)10-9-15-19-16(23-20-15)14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,18,22).
What are the key properties of 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea?
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea has a molecular weight of 316.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 53055195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).