1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide

C22H31N3O4S — CID 42407531

IUPAC1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C22H31N3O4S/c1-15(2)30(27,28)25-18-10-8-9-17(13-18)20-24-19(16(3)29-20)14-23-21(26)22(4)11-6-5-7-12-22/h8-10,13,15,25H,5-7,11-12,14H2,1-4H3,(H,23,26)
InChIKeyOJHSESDQBZLRGU-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.39
Rot. Bonds7

About 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide

1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 42407531) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide
PubChem CID42407531
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C22H31N3O4S/c1-15(2)30(27,28)25-18-10-8-9-17(13-18)20-24-19(16(3)29-20)14-23-21(26)22(4)11-6-5-7-12-22/h8-10,13,15,25H,5-7,11-12,14H2,1-4H3,(H,23,26)
InChIKeyOJHSESDQBZLRGU-UHFFFAOYSA-N
XLogP4.39
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42378532
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 118757011
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 118754272
2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 42398179
1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 46344167
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide (CID 42407531) is 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide is Cc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is OJHSESDQBZLRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-15(2)30(27,28)25-18-10-8-9-17(13-18)20-24-19(16(3)29-20)14-23-21(26)22(4)11-6-5-7-12-22/h8-10,13,15,25H,5-7,11-12,14H2,1-4H3,(H,23,26).
What are the key properties of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide?
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 42407531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).