N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide

C17H22N2O3S — CID 56774103

IUPACN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-17(2)13(10-16(17)19-23(3,20)21)9-14-11-15(22-18-14)12-7-5-4-6-8-12/h4-8,11,13,16,19H,9-10H2,1-3H3/t13-,16+/m1/s1
InChIKeyPBNKDQXJACPFFE-CJNGLKHVSA-N
MW334.44 g/mol
LogP2.85
Rot. Bonds5

About N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide

N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide (PubChem CID 56774103) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
PubChem CID56774103
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide
SMILESCC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-17(2)13(10-16(17)19-23(3,20)21)9-14-11-15(22-18-14)12-7-5-4-6-8-12/h4-8,11,13,16,19H,9-10H2,1-3H3/t13-,16+/m1/s1
InChIKeyPBNKDQXJACPFFE-CJNGLKHVSA-N
XLogP2.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide with MolForge

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Related Compounds

N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide
CID 56774321
trans-(1S,3S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
CID 56774197
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
2,4-bis(methylsulfonyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]aniline
CID 133282889
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol
CID 56822051
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide (CID 56774103) is N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide is CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide?
The InChIKey is PBNKDQXJACPFFE-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-17(2)13(10-16(17)19-23(3,20)21)9-14-11-15(22-18-14)12-7-5-4-6-8-12/h4-8,11,13,16,19H,9-10H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide?
N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]methanesulfonamide is sourced from PubChem (CID 56774103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).