(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide

C13H19N3O4 — CID 110203571

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1COC
InChIInChI=1S/C13H19N3O4/c1-8-11(20-7-15-8)13(18)16-4-9(6-19-3)10(5-16)12(17)14-2/h7,9-10H,4-6H2,1-3H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyONQVQOGARXRCBQ-VHSXEESVSA-N
MW281.31 g/mol
LogP0.06
Rot. Bonds4

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110203571) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110203571
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1COC
InChIInChI=1S/C13H19N3O4/c1-8-11(20-7-15-8)13(18)16-4-9(6-19-3)10(5-16)12(17)14-2/h7,9-10H,4-6H2,1-3H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyONQVQOGARXRCBQ-VHSXEESVSA-N
XLogP0.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 110203571) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ONQVQOGARXRCBQ-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-11(20-7-15-8)13(18)16-4-9(6-19-3)10(5-16)12(17)14-2/h7,9-10H,4-6H2,1-3H3,(H,14,17)/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).