1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea

C18H22N4O3 — CID 75403294

IUPAC1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(-c3coc(C)n3)cc2)CC1
InChIInChI=1S/C18H22N4O3/c1-12-19-17(11-25-12)14-3-5-15(6-4-14)20-18(24)21-16-7-9-22(10-8-16)13(2)23/h3-6,11,16H,7-10H2,1-2H3,(H2,20,21,24)
InChIKeyKYZZZZUCRNZQJG-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea

1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea (PubChem CID 75403294) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
PubChem CID75403294
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(-c3coc(C)n3)cc2)CC1
InChIInChI=1S/C18H22N4O3/c1-12-19-17(11-25-12)14-3-5-15(6-4-14)20-18(24)21-16-7-9-22(10-8-16)13(2)23/h3-6,11,16H,7-10H2,1-2H3,(H2,20,21,24)
InChIKeyKYZZZZUCRNZQJG-UHFFFAOYSA-N
XLogP2.78
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
CID 79731406
4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidin-4-amine
CID 54902966

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea (CID 75403294) is 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2ccc(-c3coc(C)n3)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea?
The InChIKey is KYZZZZUCRNZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-19-17(11-25-12)14-3-5-15(6-4-14)20-18(24)21-16-7-9-22(10-8-16)13(2)23/h3-6,11,16H,7-10H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea is sourced from PubChem (CID 75403294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).