N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide

C15H20N2O3S — CID 71996846

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H20N2O3S/c1-3-4-10-21(18,19)17(2)12-14-11-15(16-20-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyGMRYOHPBTTUHBF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.90
Rot. Bonds7

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide (PubChem CID 71996846) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
PubChem CID71996846
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H20N2O3S/c1-3-4-10-21(18,19)17(2)12-14-11-15(16-20-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyGMRYOHPBTTUHBF-UHFFFAOYSA-N
XLogP2.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
CID 111104978
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
(1R)-1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2-pyridinyl]ethanol
CID 97209953
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 63065042

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide (CID 71996846) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)N(C)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide?
The InChIKey is GMRYOHPBTTUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-4-10-21(18,19)17(2)12-14-11-15(16-20-14)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 71996846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).