3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide

C19H21N3O3S — CID 110361048

IUPAC3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14-19(15(2)25-22-14)26(23,24)21-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-12-16/h3-10,12,18,21H,11,13H2,1-2H3
InChIKeyMEJXGMQHDYMBMF-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.99
Rot. Bonds7

About 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide (PubChem CID 110361048) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
PubChem CID110361048
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14-19(15(2)25-22-14)26(23,24)21-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-12-16/h3-10,12,18,21H,11,13H2,1-2H3
InChIKeyMEJXGMQHDYMBMF-UHFFFAOYSA-N
XLogP2.99
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 21007749
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
CID 110356539
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
CID 110870356
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide (CID 110361048) is 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is MEJXGMQHDYMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-19(15(2)25-22-14)26(23,24)21-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-12-16/h3-10,12,18,21H,11,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110361048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).