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

C24H30ClN5O3 — CID 71542388

IUPAC2-chloro-N-cyclopentyl-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)NC3CCCC3)c(Cl)c2)n1
InChIInChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1
InChIKeyQVKJMYIIQYXWEG-MGPUTAFESA-N
MW471.99 g/mol
LogP4.96
Rot. Bonds7

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

2-chloro-N-cyclopentyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 71542388) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-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 Name2-chloro-N-cyclopentyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID71542388
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name2-chloro-N-cyclopentyl-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)NC3CCCC3)c(Cl)c2)n1
InChIInChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1
InChIKeyQVKJMYIIQYXWEG-MGPUTAFESA-N
XLogP4.96
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-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 2-chloro-N-cyclopentyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 71542388) is 2-chloro-N-cyclopentyl-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 2-chloro-N-cyclopentyl-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 2-chloro-N-cyclopentyl-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)NC3CCCC3)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-cyclopentyl-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 QVKJMYIIQYXWEG-MGPUTAFESA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1.
What are the key properties of 2-chloro-N-cyclopentyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
2-chloro-N-cyclopentyl-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 471.99 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-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 71542388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).