2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H19N5O3S — CID 157013975

IUPAC2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C17H19N5O3S/c23-15(11-13-12-3-1-2-4-14(12)25-21-13)18-17-20-19-16(26-17)5-6-22-7-9-24-10-8-22/h1-4H,5-11H2,(H,18,20,23)
InChIKeyOXMYUABKBIVAIH-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.74
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 157013975) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID157013975
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C17H19N5O3S/c23-15(11-13-12-3-1-2-4-14(12)25-21-13)18-17-20-19-16(26-17)5-6-22-7-9-24-10-8-22/h1-4H,5-11H2,(H,18,20,23)
InChIKeyOXMYUABKBIVAIH-UHFFFAOYSA-N
XLogP1.74
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155912188
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 51082256
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(1,2-benzoxazol-3-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51218031
3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946418
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 47009951
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
N-[6-[4-[5-[[2-[4-[[(2-morpholin-4-ylacetyl)amino]methyl]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982670
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144929

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 157013975) is 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1noc2ccccc12)Nc1nnc(CCN2CCOCC2)s1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OXMYUABKBIVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c23-15(11-13-12-3-1-2-4-14(12)25-21-13)18-17-20-19-16(26-17)5-6-22-7-9-24-10-8-22/h1-4H,5-11H2,(H,18,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 157013975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).