N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide

C25H33N5O3 — CID 89489940

IUPACN-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-19(12-10-18)23(31)28-20-7-5-4-6-8-20/h9-14,16-17,20-21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1
InChIKeyLXCSIGQSEGXAGW-LAUBAEHRSA-N
MW451.57 g/mol
LogP4.69
Rot. Bonds7

About N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide

N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 89489940) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID89489940
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-19(12-10-18)23(31)28-20-7-5-4-6-8-20/h9-14,16-17,20-21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1
InChIKeyLXCSIGQSEGXAGW-LAUBAEHRSA-N
XLogP4.69
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 89489940) is N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is LXCSIGQSEGXAGW-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-19(12-10-18)23(31)28-20-7-5-4-6-8-20/h9-14,16-17,20-21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1.
What are the key properties of N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 89489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).