N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

C18H25N3O3S — CID 47056365

IUPACN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCC(C)(C)c1cnc(CN2CCCc3c(NS(C)(=O)=O)cccc32)o1
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)16-11-19-17(24-16)12-21-10-6-7-13-14(20-25(4,22)23)8-5-9-15(13)21/h5,8-9,11,20H,6-7,10,12H2,1-4H3
InChIKeyROMMQIHFLPDQBB-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.30
Rot. Bonds4

About N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (PubChem CID 47056365) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
PubChem CID47056365
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCC(C)(C)c1cnc(CN2CCCc3c(NS(C)(=O)=O)cccc32)o1
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)16-11-19-17(24-16)12-21-10-6-7-13-14(20-25(4,22)23)8-5-9-15(13)21/h5,8-9,11,20H,6-7,10,12H2,1-4H3
InChIKeyROMMQIHFLPDQBB-UHFFFAOYSA-N
XLogP3.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (CID 47056365) is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is CC(C)(C)c1cnc(CN2CCCc3c(NS(C)(=O)=O)cccc32)o1.
What is the InChIKey of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The InChIKey is ROMMQIHFLPDQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-18(2,3)16-11-19-17(24-16)12-21-10-6-7-13-14(20-25(4,22)23)8-5-9-15(13)21/h5,8-9,11,20H,6-7,10,12H2,1-4H3.
What are the key properties of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 47056365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).