N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide

C14H19N3O3S — CID 63233772

IUPACN-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-4-9-17(13-7-5-12(15)6-8-13)21(18,19)14-10(2)16-20-11(14)3/h5-8H,4,9,15H2,1-3H3
InChIKeyBOVPMJQYEUVUGA-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.48
Rot. Bonds5

About N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide

N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide (PubChem CID 63233772) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
PubChem CID63233772
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-4-9-17(13-7-5-12(15)6-8-13)21(18,19)14-10(2)16-20-11(14)3/h5-8H,4,9,15H2,1-3H3
InChIKeyBOVPMJQYEUVUGA-UHFFFAOYSA-N
XLogP2.48
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]boronic acid
CID 46890018
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
3,5-dimethyl-N-(2-morpholinophenyl)-4-isoxazolesulfonamide
CID 2813422
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(4-ethylphenyl)glycinamide
CID 3241984
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3245642
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-phenylpiperazine
CID 3368289
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid
CID 3580044

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide (CID 63233772) is N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BOVPMJQYEUVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-9-17(13-7-5-12(15)6-8-13)21(18,19)14-10(2)16-20-11(14)3/h5-8H,4,9,15H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide?
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 63233772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).