N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C29H40FN5O4 — CID 56640473

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H40FN5O4/c1-3-20(2)26(29(38)35-17-15-34(16-18-35)23-11-9-22(30)10-12-23)33-27(36)24(19-21-7-5-4-6-8-21)32-28(37)25-13-14-31-39-25/h9-14,20-21,24,26H,3-8,15-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,24-,26-/m0/s1
InChIKeySKBIJCVGSVBFHO-RJWMVNQGSA-N
MW541.67 g/mol
LogP3.76
Rot. Bonds10

About N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56640473) has the molecular formula C29H40FN5O4 and a molecular weight of 541.67 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID56640473
Molecular FormulaC29H40FN5O4
Molecular Weight541.67 g/mol
Exact Mass541.31
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H40FN5O4/c1-3-20(2)26(29(38)35-17-15-34(16-18-35)23-11-9-22(30)10-12-23)33-27(36)24(19-21-7-5-4-6-8-21)32-28(37)25-13-14-31-39-25/h9-14,20-21,24,26H,3-8,15-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,24-,26-/m0/s1
InChIKeySKBIJCVGSVBFHO-RJWMVNQGSA-N
XLogP3.76
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-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-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 57330164
CID 49788574
CID 49788574
CID 73755230
CID 73755230
6-(3-ethyl-4-methyl-anilino)-3-[[1-(isoxazole-5-carbonyl)-4-piperidyl]methyl]-1H-pyrimidine-2,4-dione
CID 509272
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
N-((S)-1-(((2S,3S)-1-((3-(4-(Aminomethyl)piperidine-1-carbonyl)benzyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-cyclohexyl-1-oxopropan-2-yl)isoxazole-5-carboxamide
CID 49788311
N-ethyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]isoxazole-5-carboxamide
CID 54730641
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
N-(4-cyclohexylphenyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-1,2-oxazole-5-carboxamide
CID 167098737
GB110
CID 49843508
ALP-POS-95f71980-21
CID 156906396

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56640473) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SKBIJCVGSVBFHO-RJWMVNQGSA-N. The full InChI is InChI=1S/C29H40FN5O4/c1-3-20(2)26(29(38)35-17-15-34(16-18-35)23-11-9-22(30)10-12-23)33-27(36)24(19-21-7-5-4-6-8-21)32-28(37)25-13-14-31-39-25/h9-14,20-21,24,26H,3-8,15-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,24-,26-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 541.67 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56640473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).