N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide

C20H25ClN2O4 — CID 25262917

IUPACN-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)/N=c1/cc(C(C)(C)C)on1C[C@H]1CCCO1
InChIInChI=1S/C20H25ClN2O4/c1-20(2,3)17-11-18(23(27-17)12-14-6-5-9-26-14)22-19(24)15-10-13(21)7-8-16(15)25-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3/b22-18-/t14-/m1/s1
InChIKeyAVTDHODVAREILN-FSXJBPCSSA-N
MW392.88 g/mol
LogP3.96
Rot. Bonds4

About N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide

N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide (PubChem CID 25262917) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide
PubChem CID25262917
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC NameN-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)/N=c1/cc(C(C)(C)C)on1C[C@H]1CCCO1
InChIInChI=1S/C20H25ClN2O4/c1-20(2,3)17-11-18(23(27-17)12-14-6-5-9-26-14)22-19(24)15-10-13(21)7-8-16(15)25-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3/b22-18-/t14-/m1/s1
InChIKeyAVTDHODVAREILN-FSXJBPCSSA-N
XLogP3.96
TPSA65.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 24899436
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloro-2-propan-2-yloxybenzamide
CID 68623943
5-chloro-2-methoxy-N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 54768936
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2659998
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-cyano-2-methoxybenzamide
CID 68623194
5-chloro-N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]-2-(2,2,2-trifluoroethoxy)benzamide
CID 24968848
5-chloro-2-methoxy-N-[3-(oxan-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzamide
CID 24899698
N-[5-tert-butyl-3-(oxan-4-yl)-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide
CID 68624084
5-chloro-N-[3-(cyclobutylmethyl)-5-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 68623528
5-chloro-N-[5-(2-hydroxypropan-2-yl)-4-methyl-3-(oxolan-3-ylmethyl)-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 24896731
1-[(5-chloro-2-methoxybenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 17373498
N-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025488

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide (CID 25262917) is N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)/N=c1/cc(C(C)(C)C)on1C[C@H]1CCCO1.
What is the InChIKey of N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide?
The InChIKey is AVTDHODVAREILN-FSXJBPCSSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-20(2,3)17-11-18(23(27-17)12-14-6-5-9-26-14)22-19(24)15-10-13(21)7-8-16(15)25-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3/b22-18-/t14-/m1/s1.
What are the key properties of N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide?
N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide has a molecular weight of 392.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazol-3-ylidene]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 25262917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).