5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C18H26N4O4 — CID 130386576

About 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386576) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 130386576
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: C[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1
• InChI: InChI=1S/C18H26N4O4/c1-12-9-21(11-17(23)22-4-6-25-7-5-22)10-15(12)19-18(24)14-8-16(26-20-14)13-2-3-13/h8,12-13,15H,2-7,9-11H2,1H3,(H,19,24)/t12-,15-/m0/s1
• InChIKey: LAVDHLFYCGJHEC-WFASDCNBSA-N
• XLogP: 0.46
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386576) is 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.

What is the InChIKey of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is LAVDHLFYCGJHEC-WFASDCNBSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12-9-21(11-17(23)22-4-6-25-7-5-22)10-15(12)19-18(24)14-8-16(26-20-14)13-2-3-13/h8,12-13,15H,2-7,9-11H2,1H3,(H,19,24)/t12-,15-/m0/s1.

What are the key properties of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).