N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide

C26H25N3O6 — CID 649106

IUPACN-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1
InChIInChI=1S/C26H25N3O6/c1-32-21-13-19(14-22(15-21)33-2)24(25(30)27-16-18-7-4-3-5-8-18)29(17-20-9-6-12-34-20)26(31)23-10-11-28-35-23/h3-15,24H,16-17H2,1-2H3,(H,27,30)
InChIKeyKMJFBAZIZCUIDH-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.98
Rot. Bonds10

About N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide

N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 649106) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID649106
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC NameN-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1
InChIInChI=1S/C26H25N3O6/c1-32-21-13-19(14-22(15-21)33-2)24(25(30)27-16-18-7-4-3-5-8-18)29(17-20-9-6-12-34-20)26(31)23-10-11-28-35-23/h3-15,24H,16-17H2,1-2H3,(H,27,30)
InChIKeyKMJFBAZIZCUIDH-UHFFFAOYSA-N
XLogP3.98
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Isoxazole-5-carboxylic acid [cyclohexylcarbamoyl-(3,5-dimethoxy-phenyl)-methyl]-phenyl-amide
CID 3207863
N-(2-furanylmethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide
CID 3244363
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 5309268
5-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-3-isoxazolecarboxamide
CID 9550540
4-(2-Furylcarbonyl)piperazinyl 3-(3-methoxyphenyl)isoxazol-5-yl ketone
CID 6624211
3-Benzyl-4-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 24792937
5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-3-isoxazolecarboxamide
CID 26398817
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639732
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-ethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639735
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[(2-propoxyphenyl)methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639736
N-[(2S)-1-[[(2S,3S)-1-[(2-butoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639804
5-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087342

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 649106) is N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide is COc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1.
What is the InChIKey of N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is KMJFBAZIZCUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-32-21-13-19(14-22(15-21)33-2)24(25(30)27-16-18-7-4-3-5-8-18)29(17-20-9-6-12-34-20)26(31)23-10-11-28-35-23/h3-15,24H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 649106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).