N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C27H35F3N4O5 — CID 56639886

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-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)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H35F3N4O5/c1-3-17(2)23(26(37)31-16-19-10-7-11-20(14-19)38-27(28,29)30)34-24(35)21(15-18-8-5-4-6-9-18)33-25(36)22-12-13-32-39-22/h7,10-14,17-18,21,23H,3-6,8-9,15-16H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t17-,21-,23-/m0/s1
InChIKeyCPWVUABICWUOPN-HYVJGQCMSA-N
MW552.59 g/mol
LogP4.49
Rot. Bonds12

About N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56639886) has the molecular formula C27H35F3N4O5 and a molecular weight of 552.59 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID56639886
Molecular FormulaC27H35F3N4O5
Molecular Weight552.59 g/mol
Exact Mass552.26
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-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)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H35F3N4O5/c1-3-17(2)23(26(37)31-16-19-10-7-11-20(14-19)38-27(28,29)30)34-24(35)21(15-18-8-5-4-6-9-18)33-25(36)22-12-13-32-39-22/h7,10-14,17-18,21,23H,3-6,8-9,15-16H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t17-,21-,23-/m0/s1
InChIKeyCPWVUABICWUOPN-HYVJGQCMSA-N
XLogP4.49
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.59
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56639886) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-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)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-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)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is CPWVUABICWUOPN-HYVJGQCMSA-N. The full InChI is InChI=1S/C27H35F3N4O5/c1-3-17(2)23(26(37)31-16-19-10-7-11-20(14-19)38-27(28,29)30)34-24(35)21(15-18-8-5-4-6-9-18)33-25(36)22-12-13-32-39-22/h7,10-14,17-18,21,23H,3-6,8-9,15-16H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t17-,21-,23-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 552.59 g/mol, XLogP of 4.49, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56639886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).