N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide

C25H31F2N5O5 — CID 11237698

IUPACN-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
SMILESCCCN(C(=O)c1nnc(C2CC2)o1)C(=O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C25H31F2N5O5/c1-2-10-32(23(34)21-30-29-20(37-21)18-8-9-18)22(33)19(28-24(35)31-11-13-36-14-12-31)16-25(26,27)15-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,28,35)
InChIKeyKFNSBDSTANNCFX-UHFFFAOYSA-N
MW519.55 g/mol
LogP3.00
Rot. Bonds10

About N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide

N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide (PubChem CID 11237698) has the molecular formula C25H31F2N5O5 and a molecular weight of 519.55 g/mol. Its IUPAC name is N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
PubChem CID11237698
Molecular FormulaC25H31F2N5O5
Molecular Weight519.55 g/mol
Exact Mass519.23
IUPAC NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
SMILESCCCN(C(=O)c1nnc(C2CC2)o1)C(=O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C25H31F2N5O5/c1-2-10-32(23(34)21-30-29-20(37-21)18-8-9-18)22(33)19(28-24(35)31-11-13-36-14-12-31)16-25(26,27)15-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,28,35)
InChIKeyKFNSBDSTANNCFX-UHFFFAOYSA-N
XLogP3.00
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[[(2S)-1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
CID 11318619
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 87094750
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 140505215
N-butyl-N-[3-[(2-methoxyphenyl)methylsulfonyl]-2-(morpholine-4-carbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide
CID 18517885
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-1,4-oxazepane-4-carboxamide
CID 91075977
N-[(2S)-1-amino-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 70306655
N-[3-benzylsulfonyl-1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 142244238
N-[1-(cyanomethylamino)-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 76654299
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
CID 90767888
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-3-benzylsulfonyl-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 91004716

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide (CID 11237698) is N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide is CCCN(C(=O)c1nnc(C2CC2)o1)C(=O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide?
The InChIKey is KFNSBDSTANNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O5/c1-2-10-32(23(34)21-30-29-20(37-21)18-8-9-18)22(33)19(28-24(35)31-11-13-36-14-12-31)16-25(26,27)15-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,28,35).
What are the key properties of N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide?
N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide has a molecular weight of 519.55 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11237698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).