(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C18H21N3O5 — CID 124655888

IUPAC(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H21N3O5/c1-11-7-16(20-26-11)19-17(22)15-5-4-6-21(15)18(23)12-8-13(24-2)10-14(9-12)25-3/h7-10,15H,4-6H2,1-3H3,(H,19,20,22)/t15-/m1/s1
InChIKeyIUIFFYIYGFWTNT-OAHLLOKOSA-N
MW359.38 g/mol
LogP2.24
Rot. Bonds5

About (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 124655888) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID124655888
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H21N3O5/c1-11-7-16(20-26-11)19-17(22)15-5-4-6-21(15)18(23)12-8-13(24-2)10-14(9-12)25-3/h7-10,15H,4-6H2,1-3H3,(H,19,20,22)/t15-/m1/s1
InChIKeyIUIFFYIYGFWTNT-OAHLLOKOSA-N
XLogP2.24
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304942
(2S)-1-(2,4-dichlorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110284831
tert-butyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110624716
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
1-(2-cyclopropylpropanoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624691
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 110304934
1-(3,5-dimethoxybenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42662140

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 124655888) is (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is COc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is IUIFFYIYGFWTNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11-7-16(20-26-11)19-17(22)15-5-4-6-21(15)18(23)12-8-13(24-2)10-14(9-12)25-3/h7-10,15H,4-6H2,1-3H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124655888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).