5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C25H27ClN2O6 — CID 42280222

IUPAC5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C25H27ClN2O6/c1-30-22-11-16(12-23(31-2)24(22)32-3)14-28(15-19-5-4-10-33-19)25(29)20-13-21(34-27-20)17-6-8-18(26)9-7-17/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyJERHKEKVNJQGLQ-LJQANCHMSA-N
MW486.95 g/mol
LogP4.84
Rot. Bonds9

About 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42280222) has the molecular formula C25H27ClN2O6 and a molecular weight of 486.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42280222
Molecular FormulaC25H27ClN2O6
Molecular Weight486.95 g/mol
Exact Mass486.16
IUPAC Name5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C25H27ClN2O6/c1-30-22-11-16(12-23(31-2)24(22)32-3)14-28(15-19-5-4-10-33-19)25(29)20-13-21(34-27-20)17-6-8-18(26)9-7-17/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyJERHKEKVNJQGLQ-LJQANCHMSA-N
XLogP4.84
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.95
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 93019656
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
(2R)-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]propanamide
CID 93019676
3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 29349444
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140480
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
2-(4-bromophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 40851324
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51069976
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140459

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 42280222) is 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1cc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JERHKEKVNJQGLQ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27ClN2O6/c1-30-22-11-16(12-23(31-2)24(22)32-3)14-28(15-19-5-4-10-33-19)25(29)20-13-21(34-27-20)17-6-8-18(26)9-7-17/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 486.95 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42280222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).