N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide

C14H16N4O3S — CID 119322891

IUPACN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(COc2ccc(NC(=O)C3CSCN3)cc2)n1
InChIInChI=1S/C14H16N4O3S/c1-9-16-13(21-18-9)6-20-11-4-2-10(3-5-11)17-14(19)12-7-22-8-15-12/h2-5,12,15H,6-8H2,1H3,(H,17,19)
InChIKeyXSESHFBCECMCLU-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.56
Rot. Bonds5

About N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119322891) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119322891
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(COc2ccc(NC(=O)C3CSCN3)cc2)n1
InChIInChI=1S/C14H16N4O3S/c1-9-16-13(21-18-9)6-20-11-4-2-10(3-5-11)17-14(19)12-7-22-8-15-12/h2-5,12,15H,6-8H2,1H3,(H,17,19)
InChIKeyXSESHFBCECMCLU-UHFFFAOYSA-N
XLogP1.56
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119322894
1-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782475
2-amino-2-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanamide
CID 119322899
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
1-ethoxy-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 100639318
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
CID 119782500
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide (CID 119322891) is N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide is Cc1noc(COc2ccc(NC(=O)C3CSCN3)cc2)n1.
What is the InChIKey of N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XSESHFBCECMCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-16-13(21-18-9)6-20-11-4-2-10(3-5-11)17-14(19)12-7-22-8-15-12/h2-5,12,15H,6-8H2,1H3,(H,17,19).
What are the key properties of N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119322891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).