N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide

C22H25N3O4 — CID 110312903

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCC(c3ccco3)N3CCCC3)no2)c1
InChIInChI=1S/C22H25N3O4/c1-27-18-7-4-6-16(12-18)21-13-17(24-29-21)14-22(26)23-15-19(20-8-5-11-28-20)25-9-2-3-10-25/h4-8,11-13,19H,2-3,9-10,14-15H2,1H3,(H,23,26)
InChIKeyNIAFYXSIWWSOHK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 110312903) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID110312903
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1cccc(-c2cc(CC(=O)NCC(c3ccco3)N3CCCC3)no2)c1
InChIInChI=1S/C22H25N3O4/c1-27-18-7-4-6-16(12-18)21-13-17(24-29-21)14-22(26)23-15-19(20-8-5-11-28-20)25-9-2-3-10-25/h4-8,11-13,19H,2-3,9-10,14-15H2,1H3,(H,23,26)
InChIKeyNIAFYXSIWWSOHK-UHFFFAOYSA-N
XLogP3.44
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9399035
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
N-[(2S)-2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582810
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 16878951
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide (CID 110312903) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is COc1cccc(-c2cc(CC(=O)NCC(c3ccco3)N3CCCC3)no2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is NIAFYXSIWWSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-18-7-4-6-16(12-18)21-13-17(24-29-21)14-22(26)23-15-19(20-8-5-11-28-20)25-9-2-3-10-25/h4-8,11-13,19H,2-3,9-10,14-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 110312903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).