N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C16H16N4O3S — CID 2201464

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C16H16N4O3S/c1-3-22-9-12-18-19-16(24-12)17-15(21)13-10(2)23-20-14(13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,21)
InChIKeyZAEFETHOVIKBDW-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.29
Rot. Bonds6

About N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2201464) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2201464
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C16H16N4O3S/c1-3-22-9-12-18-19-16(24-12)17-15(21)13-10(2)23-20-14(13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,21)
InChIKeyZAEFETHOVIKBDW-UHFFFAOYSA-N
XLogP3.29
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1320138
3-(2-chlorophenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221347
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
CID 994873
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 700922
3-(2,6-dichlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1078756
5-methyl-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 1086923
N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1185934
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 1247739
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 1305820
2-(4-((3,5-Dimethylisoxazol-4-yl)methoxy)phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2570893
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2621083
3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2798860

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2201464) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCOCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZAEFETHOVIKBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-22-9-12-18-19-16(24-12)17-15(21)13-10(2)23-20-14(13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2201464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).