N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C23H27N3O4S — CID 45183054

IUPACN-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(CC4CCC4)CC4CCCO4)no3)ccc2s1
InChIInChI=1S/C23H27N3O4S/c1-15-24-20-10-17(7-8-22(20)31-15)29-14-19-11-21(25-30-19)23(27)26(12-16-4-2-5-16)13-18-6-3-9-28-18/h7-8,10-11,16,18H,2-6,9,12-14H2,1H3
InChIKeyUHBWZJIYIUVZRP-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.59
Rot. Bonds8

About N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45183054) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID45183054
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2cc(OCc3cc(C(=O)N(CC4CCC4)CC4CCCO4)no3)ccc2s1
InChIInChI=1S/C23H27N3O4S/c1-15-24-20-10-17(7-8-22(20)31-15)29-14-19-11-21(25-30-19)23(27)26(12-16-4-2-5-16)13-18-6-3-9-28-18/h7-8,10-11,16,18H,2-6,9,12-14H2,1H3
InChIKeyUHBWZJIYIUVZRP-UHFFFAOYSA-N
XLogP4.59
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-[2-(oxan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45219552
N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56741300
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42192548
N-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 40967638
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N'-(pyridine-4-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 44541623
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589900
methyl (2R)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 44542058
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96571936
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 45183054) is N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1nc2cc(OCc3cc(C(=O)N(CC4CCC4)CC4CCCO4)no3)ccc2s1.
What is the InChIKey of N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UHBWZJIYIUVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15-24-20-10-17(7-8-22(20)31-15)29-14-19-11-21(25-30-19)23(27)26(12-16-4-2-5-16)13-18-6-3-9-28-18/h7-8,10-11,16,18H,2-6,9,12-14H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).