(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide

C19H28N6O3 — CID 91923293

IUPAC(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCCn1nc(C)cc1CN(C)C(=O)[C@@H]1CN(C(C)=O)C[C@H]1c1nc(C)no1
InChIInChI=1S/C19H28N6O3/c1-6-7-25-15(8-12(2)21-25)9-23(5)19(27)17-11-24(14(4)26)10-16(17)18-20-13(3)22-28-18/h8,16-17H,6-7,9-11H2,1-5H3/t16-,17-/m1/s1
InChIKeyAUJLQIRAQGZLNR-IAGOWNOFSA-N
MW388.47 g/mol
LogP1.51
Rot. Bonds6

About (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide

(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 91923293) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID91923293
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCCn1nc(C)cc1CN(C)C(=O)[C@@H]1CN(C(C)=O)C[C@H]1c1nc(C)no1
InChIInChI=1S/C19H28N6O3/c1-6-7-25-15(8-12(2)21-25)9-23(5)19(27)17-11-24(14(4)26)10-16(17)18-20-13(3)22-28-18/h8,16-17H,6-7,9-11H2,1-5H3/t16-,17-/m1/s1
InChIKeyAUJLQIRAQGZLNR-IAGOWNOFSA-N
XLogP1.51
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 91923293) is (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide is CCCn1nc(C)cc1CN(C)C(=O)[C@@H]1CN(C(C)=O)C[C@H]1c1nc(C)no1.
What is the InChIKey of (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is AUJLQIRAQGZLNR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-6-7-25-15(8-12(2)21-25)9-23(5)19(27)17-11-24(14(4)26)10-16(17)18-20-13(3)22-28-18/h8,16-17H,6-7,9-11H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-acetyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).