2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C16H13N5O3S — CID 122275712

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H13N5O3S/c22-15(9-20-13-3-1-2-4-14(13)24-16(20)23)17-7-11-8-21(19-18-11)12-5-6-25-10-12/h1-6,8,10H,7,9H2,(H,17,22)
InChIKeyQDDBNRXZNRGZCV-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.55
Rot. Bonds5

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275712) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275712
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H13N5O3S/c22-15(9-20-13-3-1-2-4-14(13)24-16(20)23)17-7-11-8-21(19-18-11)12-5-6-25-10-12/h1-6,8,10H,7,9H2,(H,17,22)
InChIKeyQDDBNRXZNRGZCV-UHFFFAOYSA-N
XLogP1.55
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131898863
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 131891106
4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
CID 122275716
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122352825
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 66192535

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275712) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is QDDBNRXZNRGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c22-15(9-20-13-3-1-2-4-14(13)24-16(20)23)17-7-11-8-21(19-18-11)12-5-6-25-10-12/h1-6,8,10H,7,9H2,(H,17,22).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 355.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).