2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide

C24H31N3O5 — CID 22179885

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESCCC(NC(=O)C(CCCc1ccccc1)CC(=O)N1CCOCC1)C(=O)c1ncco1
InChIInChI=1S/C24H31N3O5/c1-2-20(22(29)24-25-11-14-32-24)26-23(30)19(10-6-9-18-7-4-3-5-8-18)17-21(28)27-12-15-31-16-13-27/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,26,30)
InChIKeyNQIMMFOHXVJNHD-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.64
Rot. Bonds11

About 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide

2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide (PubChem CID 22179885) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
PubChem CID22179885
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESCCC(NC(=O)C(CCCc1ccccc1)CC(=O)N1CCOCC1)C(=O)c1ncco1
InChIInChI=1S/C24H31N3O5/c1-2-20(22(29)24-25-11-14-32-24)26-23(30)19(10-6-9-18-7-4-3-5-8-18)17-21(28)27-12-15-31-16-13-27/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,26,30)
InChIKeyNQIMMFOHXVJNHD-UHFFFAOYSA-N
XLogP2.64
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide
CID 21025660
(2R)-2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
CID 58628213
(2S)-2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2R)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
CID 91592615
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
[(1R)-1-[[(2R)-2-(methylcarbamoylamino)-4-morpholin-4-yl-4-oxobutanoyl]amino]-4-phenylbutyl]boronic acid
CID 168919882
2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]butanamide
CID 22053931
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649510
[4-morpholin-4-yl-1,4-dioxo-1-[[(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]amino]butan-2-yl]carbamic acid
CID 174050918
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
CID 10323687
2-(benzylsulfonylmethyl)-N-(1,2-dioxo-1-phenylheptan-3-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 10281040
2-amino-4-morpholin-4-yl-4-oxo-N-[4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]butanamide
CID 174050996

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide (CID 22179885) is 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide is CCC(NC(=O)C(CCCc1ccccc1)CC(=O)N1CCOCC1)C(=O)c1ncco1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
The InChIKey is NQIMMFOHXVJNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-2-20(22(29)24-25-11-14-32-24)26-23(30)19(10-6-9-18-7-4-3-5-8-18)17-21(28)27-12-15-31-16-13-27/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,26,30).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide?
2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide has a molecular weight of 441.53 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide is sourced from PubChem (CID 22179885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).