1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea

C18H26N4O5S — CID 24812366

IUPAC1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C18H26N4O5S/c1-12(2)28(25,26)22-9-7-14(8-10-22)20(3)17(23)19-13-5-6-15-16(11-13)27-18(24)21(15)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,19,23)
InChIKeySRPCRNPILVFSLF-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.80
Rot. Bonds4

About 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea

1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea (PubChem CID 24812366) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
PubChem CID24812366
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C18H26N4O5S/c1-12(2)28(25,26)22-9-7-14(8-10-22)20(3)17(23)19-13-5-6-15-16(11-13)27-18(24)21(15)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,19,23)
InChIKeySRPCRNPILVFSLF-UHFFFAOYSA-N
XLogP1.80
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(1-cyclopentylsulfonylpiperidin-4-yl)-1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 24812368
1-(1-butylsulfonylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812274
1-(1-butanoylpiperidin-4-yl)-1-methyl-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 24812176
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea;molecular hydrogen
CID 157434659
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 99829453
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 110350785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea (CID 24812366) is 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea is CC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1.
What is the InChIKey of 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
The InChIKey is SRPCRNPILVFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-12(2)28(25,26)22-9-7-14(8-10-22)20(3)17(23)19-13-5-6-15-16(11-13)27-18(24)21(15)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,19,23).
What are the key properties of 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea?
1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea has a molecular weight of 410.50 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 24812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).