N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C24H27N3O6 — CID 93140459

IUPACN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)C[C@H]3CCCO3)no2)cc1
InChIInChI=1S/C24H27N3O6/c1-30-18-8-6-17(7-9-18)22-14-21(26-33-22)24(29)27(16-20-5-3-13-32-20)11-10-23(28)25-15-19-4-2-12-31-19/h2,4,6-9,12,14,20H,3,5,10-11,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyCMYNVURQKKUTCR-HXUWFJFHSA-N
MW453.50 g/mol
LogP3.27
Rot. Bonds10

About N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 93140459) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID93140459
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)C[C@H]3CCCO3)no2)cc1
InChIInChI=1S/C24H27N3O6/c1-30-18-8-6-17(7-9-18)22-14-21(26-33-22)24(29)27(16-20-5-3-13-32-20)11-10-23(28)25-15-19-4-2-12-31-19/h2,4,6-9,12,14,20H,3,5,10-11,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyCMYNVURQKKUTCR-HXUWFJFHSA-N
XLogP3.27
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51069976
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140480
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93143813
N-(furan-2-ylmethyl)-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143894
N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 46141205
5-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93140760
5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93019723
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143416
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51069948
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 93143825

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 93140459) is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)C[C@H]3CCCO3)no2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CMYNVURQKKUTCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-30-18-8-6-17(7-9-18)22-14-21(26-33-22)24(29)27(16-20-5-3-13-32-20)11-10-23(28)25-15-19-4-2-12-31-19/h2,4,6-9,12,14,20H,3,5,10-11,13,15-16H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).