N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

C14H18N2O3S — CID 110714543

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-4-6-13(7-5-11)10-20(17,18)16(3)9-14-8-12(2)19-15-14/h4-8H,9-10H2,1-3H3
InChIKeyVJTUDULPWKUUBD-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110714543) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110714543
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-4-6-13(7-5-11)10-20(17,18)16(3)9-14-8-12(2)19-15-14/h4-8H,9-10H2,1-3H3
InChIKeyVJTUDULPWKUUBD-UHFFFAOYSA-N
XLogP2.25
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43458492
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 54986731
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 43587615
5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 114625195
5-methyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848421
N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
CID 47185640
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051360

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110714543) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)N(C)Cc2cc(C)on2)cc1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is VJTUDULPWKUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-4-6-13(7-5-11)10-20(17,18)16(3)9-14-8-12(2)19-15-14/h4-8H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110714543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).