N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide

C19H27F2N5O5 — CID 11236104

IUPACN-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C19H27F2N5O5/c1-3-12(14(27)17-24-15(25-31-17)11-4-5-11)22-16(28)13(10-19(2,20)21)23-18(29)26-6-8-30-9-7-26/h11-13H,3-10H2,1-2H3,(H,22,28)(H,23,29)/t12-,13-/m0/s1
InChIKeyWULBHEXYVCPHPW-STQMWFEESA-N
MW443.45 g/mol
LogP1.48
Rot. Bonds9

About N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11236104) has the molecular formula C19H27F2N5O5 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11236104
Molecular FormulaC19H27F2N5O5
Molecular Weight443.45 g/mol
Exact Mass443.20
IUPAC NameN-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C19H27F2N5O5/c1-3-12(14(27)17-24-15(25-31-17)11-4-5-11)22-16(28)13(10-19(2,20)21)23-18(29)26-6-8-30-9-7-26/h11-13H,3-10H2,1-2H3,(H,22,28)(H,23,29)/t12-,13-/m0/s1
InChIKeyWULBHEXYVCPHPW-STQMWFEESA-N
XLogP1.48
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11236104) is N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide is CC[C@H](NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is WULBHEXYVCPHPW-STQMWFEESA-N. The full InChI is InChI=1S/C19H27F2N5O5/c1-3-12(14(27)17-24-15(25-31-17)11-4-5-11)22-16(28)13(10-19(2,20)21)23-18(29)26-6-8-30-9-7-26/h11-13H,3-10H2,1-2H3,(H,22,28)(H,23,29)/t12-,13-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).