(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C22H24N4O5 — CID 110198769

IUPAC(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(Cc2c(C)noc2C)o1
InChIInChI=1S/C22H24N4O5/c1-13-18(14(2)31-25-13)9-15-6-7-20(30-15)22(28)26-12-17(10-19(26)21(27)23-3)29-16-5-4-8-24-11-16/h4-8,11,17,19H,9-10,12H2,1-3H3,(H,23,27)/t17-,19-/m0/s1
InChIKeyGYLLKCROBIRCQK-HKUYNNGSSA-N
MW424.46 g/mol
LogP2.28
Rot. Bonds6

About (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198769) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198769
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(Cc2c(C)noc2C)o1
InChIInChI=1S/C22H24N4O5/c1-13-18(14(2)31-25-13)9-15-6-7-20(30-15)22(28)26-12-17(10-19(26)21(27)23-3)29-16-5-4-8-24-11-16/h4-8,11,17,19H,9-10,12H2,1-3H3,(H,23,27)/t17-,19-/m0/s1
InChIKeyGYLLKCROBIRCQK-HKUYNNGSSA-N
XLogP2.28
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(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-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199088
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198723
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 46968195
(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198722
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (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) is (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(Cc2c(C)noc2C)o1.
What is the InChIKey of (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is GYLLKCROBIRCQK-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13-18(14(2)31-25-13)9-15-6-7-20(30-15)22(28)26-12-17(10-19(26)21(27)23-3)29-16-5-4-8-24-11-16/h4-8,11,17,19H,9-10,12H2,1-3H3,(H,23,27)/t17-,19-/m0/s1.
What are the key properties of (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).