5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C22H24N4O2 — CID 130395332

IUPAC5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(Cc2cccc3cccnc23)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C22H24N4O2/c1-14-11-26(12-17-5-2-4-16-6-3-9-23-21(16)17)13-19(14)24-22(27)18-10-20(28-25-18)15-7-8-15/h2-6,9-10,14-15,19H,7-8,11-13H2,1H3,(H,24,27)/t14-,19+/m0/s1
InChIKeyFJCJMZBUUPQSDI-IFXJQAMLSA-N
MW376.46 g/mol
LogP3.35
Rot. Bonds5

About 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395332) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395332
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(Cc2cccc3cccnc23)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C22H24N4O2/c1-14-11-26(12-17-5-2-4-16-6-3-9-23-21(16)17)13-19(14)24-22(27)18-10-20(28-25-18)15-7-8-15/h2-6,9-10,14-15,19H,7-8,11-13H2,1H3,(H,24,27)/t14-,19+/m0/s1
InChIKeyFJCJMZBUUPQSDI-IFXJQAMLSA-N
XLogP3.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395332) is 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CN(Cc2cccc3cccnc23)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FJCJMZBUUPQSDI-IFXJQAMLSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-11-26(12-17-5-2-4-16-6-3-9-23-21(16)17)13-19(14)24-22(27)18-10-20(28-25-18)15-7-8-15/h2-6,9-10,14-15,19H,7-8,11-13H2,1H3,(H,24,27)/t14-,19+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).