2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid

C20H19N3O4S — CID 126458315

IUPAC2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
SMILESCc1cc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)no1
InChIInChI=1S/C20H19N3O4S/c1-11-8-17(23-27-11)22-20(26)12-6-7-14-16(9-12)21-15-5-3-2-4-13(15)19(14)28-10-18(24)25/h6-9H,2-5,10H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyBGRTVAWZVJMGJJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.84
Rot. Bonds5

About 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid

2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid (PubChem CID 126458315) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
PubChem CID126458315
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
SMILESCc1cc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)no1
InChIInChI=1S/C20H19N3O4S/c1-11-8-17(23-27-11)22-20(26)12-6-7-14-16(9-12)21-15-5-3-2-4-13(15)19(14)28-10-18(24)25/h6-9H,2-5,10H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyBGRTVAWZVJMGJJ-UHFFFAOYSA-N
XLogP3.84
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-[[6-(3-methylbutylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid
CID 6622730
2-[[6-(oxolan-2-ylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid
CID 53298147
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
CID 3224602
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20867716
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
9-chloro-N-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866074
4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2743435
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid (CID 126458315) is 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid is Cc1cc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)no1.
What is the InChIKey of 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
The InChIKey is BGRTVAWZVJMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-11-8-17(23-27-11)22-20(26)12-6-7-14-16(9-12)21-15-5-3-2-4-13(15)19(14)28-10-18(24)25/h6-9H,2-5,10H2,1H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid?
2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid has a molecular weight of 397.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid is sourced from PubChem (CID 126458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).