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

C19H27N3O4S — CID 20629127

IUPAC4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)CCC(C)CNS(=O)(=O)C(C)C
InChIInChI=1S/C19H27N3O4S/c1-13(2)27(24,25)21-12-14(3)5-8-18(23)22-17-7-6-16(11-15(17)4)19-20-9-10-26-19/h6-7,9-11,13-14,21H,5,8,12H2,1-4H3,(H,22,23)
InChIKeyWHVZRFQCGGKEKN-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.33
Rot. Bonds9

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

4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629127) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629127
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)CCC(C)CNS(=O)(=O)C(C)C
InChIInChI=1S/C19H27N3O4S/c1-13(2)27(24,25)21-12-14(3)5-8-18(23)22-17-7-6-16(11-15(17)4)19-20-9-10-26-19/h6-7,9-11,13-14,21H,5,8,12H2,1-4H3,(H,22,23)
InChIKeyWHVZRFQCGGKEKN-UHFFFAOYSA-N
XLogP3.33
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20628843
2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide
CID 125419852
4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
CID 20628760
N-[(4R)-2-methyl-4-[[2-methyl-4-(1,3-oxazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939367
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-[3-methyl-4-[2-[3-methyl-4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole
CID 162187636
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
CID 17100754
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629127) is 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide is Cc1cc(-c2ncco2)ccc1NC(=O)CCC(C)CNS(=O)(=O)C(C)C.
What is the InChIKey of 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is WHVZRFQCGGKEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)27(24,25)21-12-14(3)5-8-18(23)22-17-7-6-16(11-15(17)4)19-20-9-10-26-19/h6-7,9-11,13-14,21H,5,8,12H2,1-4H3,(H,22,23).
What are the key properties of 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 393.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).