2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate

C16H10ClN4O4S- — CID 7263484

IUPAC2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C16H11ClN4O4S/c17-12-4-3-10(6-11(12)15(23)24)19-13(22)8-26-16-21-20-14(25-16)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,22)(H,23,24)/p-1
InChIKeyROZDCYSXPWMSLH-UHFFFAOYSA-M
MW389.80 g/mol
LogP1.88
Rot. Bonds6

About 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate

2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (PubChem CID 7263484) has the molecular formula C16H10ClN4O4S- and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.

Molecular Properties

Compound Name2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
PubChem CID7263484
Molecular FormulaC16H10ClN4O4S-
Molecular Weight389.80 g/mol
Exact Mass389.01
IUPAC Name2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C16H11ClN4O4S/c17-12-4-3-10(6-11(12)15(23)24)19-13(22)8-26-16-21-20-14(25-16)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,22)(H,23,24)/p-1
InChIKeyROZDCYSXPWMSLH-UHFFFAOYSA-M
XLogP1.88
TPSA121.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1206474
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
N-(3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7165769
N-(4-fluoro-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7907261
N-(2,6-dichloro-3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879349
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
N-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027042
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7879323
N-[(2,4-dichlorophenyl)methyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879116
N-(3,4-dichlorophenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 56731776
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2413834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The IUPAC name of 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate (CID 7263484) is 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
What is the SMILES notation for 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The canonical SMILES for 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)c(C(=O)[O-])c1.
What is the InChIKey of 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
The InChIKey is ROZDCYSXPWMSLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11ClN4O4S/c17-12-4-3-10(6-11(12)15(23)24)19-13(22)8-26-16-21-20-14(25-16)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,22)(H,23,24)/p-1.
What are the key properties of 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate?
2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate has a molecular weight of 389.80 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate is sourced from PubChem (CID 7263484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).