[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate

C24H28N4O5S — CID 87218581

IUPAC[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc4c(c3)CCCN4OS(C)(=O)=O)cc2)no1
InChIInChI=1S/C24H28N4O5S/c1-24(2,3)20-14-21(27-32-20)26-22(29)12-16-7-9-17(10-8-16)19-13-18-6-5-11-28(23(18)25-15-19)33-34(4,30)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,27,29)
InChIKeyVUEPYPJDLWGFQN-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.86
Rot. Bonds6

About [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate

[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate (PubChem CID 87218581) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate.

Molecular Properties

Compound Name[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate
PubChem CID87218581
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc4c(c3)CCCN4OS(C)(=O)=O)cc2)no1
InChIInChI=1S/C24H28N4O5S/c1-24(2,3)20-14-21(27-32-20)26-22(29)12-16-7-9-17(10-8-16)19-13-18-6-5-11-28(23(18)25-15-19)33-34(4,30)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,27,29)
InChIKeyVUEPYPJDLWGFQN-UHFFFAOYSA-N
XLogP3.86
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate with MolForge

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Related Compounds

2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;methanesulfonic acid
CID 162340095
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967674
2-[4-(5-amino-6-chloropyrazin-2-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 88541866
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
2-[4-(4-amino-7-methyl-2H-pyrazolo[4,3-c]pyridin-3-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 177160357
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 162660579
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 165109119
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66968381
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 59420631

Frequently Asked Questions

What is the IUPAC name of [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate?
The IUPAC name of [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate (CID 87218581) is [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate.
What is the SMILES notation for [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate?
The canonical SMILES for [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc4c(c3)CCCN4OS(C)(=O)=O)cc2)no1.
What is the InChIKey of [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate?
The InChIKey is VUEPYPJDLWGFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-24(2,3)20-14-21(27-32-20)26-22(29)12-16-7-9-17(10-8-16)19-13-18-6-5-11-28(23(18)25-15-19)33-34(4,30)31/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,27,29).
What are the key properties of [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate?
[6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate has a molecular weight of 484.58 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl] methanesulfonate is sourced from PubChem (CID 87218581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).