(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C22H22N4O4 — CID 110198722

IUPAC(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ncoc1-c1cccc(C)c1
InChIInChI=1S/C22H22N4O4/c1-14-5-3-6-15(9-14)20-19(25-13-29-20)22(28)26-12-17(10-18(26)21(27)23-2)30-16-7-4-8-24-11-16/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,23,27)/t17-,18-/m0/s1
InChIKeyXOQUSPYCJDIITH-ROUUACIJSA-N
MW406.44 g/mol
LogP2.45
Rot. Bonds5

About (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198722) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198722
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ncoc1-c1cccc(C)c1
InChIInChI=1S/C22H22N4O4/c1-14-5-3-6-15(9-14)20-19(25-13-29-20)22(28)26-12-17(10-18(26)21(27)23-2)30-16-7-4-8-24-11-16/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,23,27)/t17-,18-/m0/s1
InChIKeyXOQUSPYCJDIITH-ROUUACIJSA-N
XLogP2.45
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198771
(2S,4S)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198273
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199060
(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198723
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198769
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198722) is (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ncoc1-c1cccc(C)c1.
What is the InChIKey of (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is XOQUSPYCJDIITH-ROUUACIJSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-5-3-6-15(9-14)20-19(25-13-29-20)22(28)26-12-17(10-18(26)21(27)23-2)30-16-7-4-8-24-11-16/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,23,27)/t17-,18-/m0/s1.
What are the key properties of (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).