1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea

C20H26N4O3 — CID 86831379

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
SMILESCc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H26N4O3/c1-14-18(15(2)27-22-14)13-23(3)20(26)21-12-16-7-9-17(10-8-16)24-11-5-4-6-19(24)25/h7-10H,4-6,11-13H2,1-3H3,(H,21,26)
InChIKeyYCRGHZCAZILVAC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.15
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea (PubChem CID 86831379) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
PubChem CID86831379
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
SMILESCc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H26N4O3/c1-14-18(15(2)27-22-14)13-23(3)20(26)21-12-16-7-9-17(10-8-16)24-11-5-4-6-19(24)25/h7-10H,4-6,11-13H2,1-3H3,(H,21,26)
InChIKeyYCRGHZCAZILVAC-UHFFFAOYSA-N
XLogP3.15
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 75462240
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46404795
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
1-benzyl-1,2-dimethyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 110951460
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea (CID 86831379) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea is Cc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea?
The InChIKey is YCRGHZCAZILVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-18(15(2)27-22-14)13-23(3)20(26)21-12-16-7-9-17(10-8-16)24-11-5-4-6-19(24)25/h7-10H,4-6,11-13H2,1-3H3,(H,21,26).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea has a molecular weight of 370.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 86831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).