N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C22H19N3O2S — CID 22587628

IUPACN-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCc1ccc2oc(SCC(=O)NC(c3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H19N3O2S/c1-15-12-13-18-21(23-15)25-22(27-18)28-14-19(26)24-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,24,26)
InChIKeyYIAFRUNUZFIZSS-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.53
Rot. Bonds6

About N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 22587628) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID22587628
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCc1ccc2oc(SCC(=O)NC(c3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H19N3O2S/c1-15-12-13-18-21(23-15)25-22(27-18)28-14-19(26)24-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,24,26)
InChIKeyYIAFRUNUZFIZSS-UHFFFAOYSA-N
XLogP4.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26835633
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9006398
2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 26835635
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 94018618
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
(2R)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 79009461
N-benzhydryl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810110
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 22587628) is N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is Cc1ccc2oc(SCC(=O)NC(c3ccccc3)c3ccccc3)nc2n1.
What is the InChIKey of N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is YIAFRUNUZFIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-12-13-18-21(23-15)25-22(27-18)28-14-19(26)24-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,24,26).
What are the key properties of N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 22587628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).