N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

C18H18N6O3S — CID 56760243

IUPACN-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc2cc(OCc3nc(C(=O)N(C)Cc4nncn4C)co3)ccc2s1
InChIInChI=1S/C18H18N6O3S/c1-11-20-13-6-12(4-5-15(13)28-11)26-9-17-21-14(8-27-17)18(25)23(2)7-16-22-19-10-24(16)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyKFWIIPLTLOCADM-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.57
Rot. Bonds6

About N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56760243) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56760243
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc2cc(OCc3nc(C(=O)N(C)Cc4nncn4C)co3)ccc2s1
InChIInChI=1S/C18H18N6O3S/c1-11-20-13-6-12(4-5-15(13)28-11)26-9-17-21-14(8-27-17)18(25)23(2)7-16-22-19-10-24(16)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyKFWIIPLTLOCADM-UHFFFAOYSA-N
XLogP2.57
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95209846
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 56750009
N-[(2S)-1-amino-1-oxopropan-2-yl]-N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95218793
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56741300
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-propan-2-yl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56754794
N-[3-(dimethylamino)-2-methylpropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 72879673
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 42508088
N-[(2S)-2,3-dihydroxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56749315
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 97148539
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 97128643
methyl (2S)-2-[[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carbonyl]amino]-2-phenylacetate
CID 44542360
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 45240305

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (CID 56760243) is N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nc2cc(OCc3nc(C(=O)N(C)Cc4nncn4C)co3)ccc2s1.
What is the InChIKey of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KFWIIPLTLOCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-11-20-13-6-12(4-5-15(13)28-11)26-9-17-21-14(8-27-17)18(25)23(2)7-16-22-19-10-24(16)3/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56760243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).