2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid

C18H15N5O5S — CID 162679133

IUPAC2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nnc(-c2ccc(NC(=O)c3cccnc3)cc2)o1
InChIInChI=1S/C18H15N5O5S/c24-14(20-9-15(25)26)10-29-18-23-22-17(28-18)11-3-5-13(6-4-11)21-16(27)12-2-1-7-19-8-12/h1-8H,9-10H2,(H,20,24)(H,21,27)(H,25,26)
InChIKeyRABONALGOIYFPR-UHFFFAOYSA-N
MW413.42 g/mol
LogP1.68
Rot. Bonds8

About 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid

2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid (PubChem CID 162679133) has the molecular formula C18H15N5O5S and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid
PubChem CID162679133
Molecular FormulaC18H15N5O5S
Molecular Weight413.42 g/mol
Exact Mass413.08
IUPAC Name2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1nnc(-c2ccc(NC(=O)c3cccnc3)cc2)o1
InChIInChI=1S/C18H15N5O5S/c24-14(20-9-15(25)26)10-29-18-23-22-17(28-18)11-3-5-13(6-4-11)21-16(27)12-2-1-7-19-8-12/h1-8H,9-10H2,(H,20,24)(H,21,27)(H,25,26)
InChIKeyRABONALGOIYFPR-UHFFFAOYSA-N
XLogP1.68
TPSA147.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 162679127
(2S)-4-methyl-2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]pentanoic acid
CID 162679236
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4899903
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 40694759
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7559156
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095
N-(3,4-dichlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1206474
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 5115761
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2413834
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid (CID 162679133) is 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1nnc(-c2ccc(NC(=O)c3cccnc3)cc2)o1.
What is the InChIKey of 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid?
The InChIKey is RABONALGOIYFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5S/c24-14(20-9-15(25)26)10-29-18-23-22-17(28-18)11-3-5-13(6-4-11)21-16(27)12-2-1-7-19-8-12/h1-8H,9-10H2,(H,20,24)(H,21,27)(H,25,26).
What are the key properties of 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid?
2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid has a molecular weight of 413.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-[4-(pyridine-3-carbonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid is sourced from PubChem (CID 162679133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).