N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C19H18ClN5O3S — CID 4274087

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccn2)o1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C19H18ClN5O3S/c20-13-4-3-6-14(17(13)25-8-10-27-11-9-25)22-16(26)12-29-19-24-23-18(28-19)15-5-1-2-7-21-15/h1-7H,8-12H2,(H,22,26)
InChIKeyQPQWFWARIRXWJD-UHFFFAOYSA-N
MW431.91 g/mol
LogP3.35
Rot. Bonds6

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4274087) has the molecular formula C19H18ClN5O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4274087
Molecular FormulaC19H18ClN5O3S
Molecular Weight431.91 g/mol
Exact Mass431.08
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccn2)o1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C19H18ClN5O3S/c20-13-4-3-6-14(17(13)25-8-10-27-11-9-25)22-16(26)12-29-19-24-23-18(28-19)15-5-1-2-7-21-15/h1-7H,8-12H2,(H,22,26)
InChIKeyQPQWFWARIRXWJD-UHFFFAOYSA-N
XLogP3.35
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4274087) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccn2)o1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QPQWFWARIRXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3S/c20-13-4-3-6-14(17(13)25-8-10-27-11-9-25)22-16(26)12-29-19-24-23-18(28-19)15-5-1-2-7-21-15/h1-7H,8-12H2,(H,22,26).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 431.91 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4274087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).