2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide

C22H39N5O4 — CID 92986597

IUPAC2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H39N5O4/c1-3-5-27(6-4-2)22(29)20-18-31-21(23-20)17-25-9-7-24(8-10-25)15-19(28)16-26-11-13-30-14-12-26/h18-19,28H,3-17H2,1-2H3/t19-/m0/s1
InChIKeyNVMHDFVLMVVUJP-IBGZPJMESA-N
MW437.59 g/mol
LogP0.75
Rot. Bonds11

About 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide

2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide (PubChem CID 92986597) has the molecular formula C22H39N5O4 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
PubChem CID92986597
Molecular FormulaC22H39N5O4
Molecular Weight437.59 g/mol
Exact Mass437.30
IUPAC Name2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H39N5O4/c1-3-5-27(6-4-2)22(29)20-18-31-21(23-20)17-25-9-7-24(8-10-25)15-19(28)16-26-11-13-30-14-12-26/h18-19,28H,3-17H2,1-2H3/t19-/m0/s1
InChIKeyNVMHDFVLMVVUJP-IBGZPJMESA-N
XLogP0.75
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide (CID 92986597) is 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide is CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)n1.
What is the InChIKey of 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
The InChIKey is NVMHDFVLMVVUJP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H39N5O4/c1-3-5-27(6-4-2)22(29)20-18-31-21(23-20)17-25-9-7-24(8-10-25)15-19(28)16-26-11-13-30-14-12-26/h18-19,28H,3-17H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide?
2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 0.75, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).