N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide

C34H42FN5O6 — CID 118732129

IUPACN-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)co1
InChIInChI=1S/C34H42FN5O6/c1-23(2)19-28(38-34(43)39-15-17-44-18-16-39)32-37-30(22-46-32)31(41)36-29(20-24-7-4-3-5-8-24)33(42)40-14-6-9-26(40)21-45-27-12-10-25(35)11-13-27/h3-5,7-8,10-13,22-23,26,28-29H,6,9,14-21H2,1-2H3,(H,36,41)(H,38,43)/t26-,28-,29-/m0/s1
InChIKeyXWSRVFSLUYSZQW-ZXRKZBAXSA-N
MW635.74 g/mol
LogP4.35
Rot. Bonds12

About N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide

N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide (PubChem CID 118732129) has the molecular formula C34H42FN5O6 and a molecular weight of 635.74 g/mol. Its IUPAC name is N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
PubChem CID118732129
Molecular FormulaC34H42FN5O6
Molecular Weight635.74 g/mol
Exact Mass635.31
IUPAC NameN-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)co1
InChIInChI=1S/C34H42FN5O6/c1-23(2)19-28(38-34(43)39-15-17-44-18-16-39)32-37-30(22-46-32)31(41)36-29(20-24-7-4-3-5-8-24)33(42)40-14-6-9-26(40)21-45-27-12-10-25(35)11-13-27/h3-5,7-8,10-13,22-23,26,28-29H,6,9,14-21H2,1-2H3,(H,36,41)(H,38,43)/t26-,28-,29-/m0/s1
InChIKeyXWSRVFSLUYSZQW-ZXRKZBAXSA-N
XLogP4.35
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.74
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[4-(piperidin-1-ylcarbonyl)-oxazol-2-yl]-benzyl}-2-(4-trifluoromethoxy-phenyl)-acetamide
CID 10311116
N-[(1S,2S)-2-phenylmethoxycyclohexyl]-2-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 59993948
(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-2-methyl-1-[(2-phenoxybenzoyl)amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
CID 71565582
N-(4-cyclohexylbutyl)-2-[(2S)-1-[[5-methoxy-2-[3-oxo-3-(trifluoromethylsulfonylamino)propyl]phenyl]methyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
CID 56839343
3-(3-Fluorophenyl)-3-(4-methoxyphenyl)-1-[4-[[4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 53321732
1-[1-[[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815357
1-[1-[[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821549
1-[(2-Cyclopropyl-1,3-oxazol-4-yl)methyl]-1-[[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 171051029
1-[[2-(Fluoromethyl)-1,3-oxazol-4-yl]methyl]-3-(1-methylpiperidin-4-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 171051030
1-[(4-Butoxyphenyl)methyl]-1-[[2-(fluoromethyl)-1,3-oxazol-4-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 171051042
1-[(4-Butoxyphenyl)methyl]-1-[[2-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 171051048
1-[[2-Fluoro-4-(2-methylpropoxy)phenyl]methyl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 171051059

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide (CID 118732129) is N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)co1.
What is the InChIKey of N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide?
The InChIKey is XWSRVFSLUYSZQW-ZXRKZBAXSA-N. The full InChI is InChI=1S/C34H42FN5O6/c1-23(2)19-28(38-34(43)39-15-17-44-18-16-39)32-37-30(22-46-32)31(41)36-29(20-24-7-4-3-5-8-24)33(42)40-14-6-9-26(40)21-45-27-12-10-25(35)11-13-27/h3-5,7-8,10-13,22-23,26,28-29H,6,9,14-21H2,1-2H3,(H,36,41)(H,38,43)/t26-,28-,29-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide?
N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide has a molecular weight of 635.74 g/mol, XLogP of 4.35, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide is sourced from PubChem (CID 118732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).