N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C14H14N4O4S — CID 39069615

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOCc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1
InChIInChI=1S/C14H14N4O4S/c1-21-8-12-16-17-14(23-12)15-11(19)6-18-7-13(20)22-10-5-3-2-4-9(10)18/h2-5H,6-8H2,1H3,(H,15,17,19)
InChIKeyYMQVWBLRBHQAFJ-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.05
Rot. Bonds5

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39069615) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39069615
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOCc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1
InChIInChI=1S/C14H14N4O4S/c1-21-8-12-16-17-14(23-12)15-11(19)6-18-7-13(20)22-10-5-3-2-4-9(10)18/h2-5H,6-8H2,1H3,(H,15,17,19)
InChIKeyYMQVWBLRBHQAFJ-UHFFFAOYSA-N
XLogP1.05
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 96558451
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 39069724
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-(4-bromophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837567
N-(4-methylpiperazin-1-yl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061333
N-(4-fluorophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837565
N-(4-iodophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837568
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91838398
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069829
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
CID 91832530
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39069615) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is COCc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is YMQVWBLRBHQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-21-8-12-16-17-14(23-12)15-11(19)6-18-7-13(20)22-10-5-3-2-4-9(10)18/h2-5H,6-8H2,1H3,(H,15,17,19).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 334.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39069615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).