2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide

C18H28N4O4 — CID 92986286

IUPAC2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESC#CCOC[C@H](O)CN1CCN(Cc2nc(C(=O)NCCC)co2)CC1
InChIInChI=1S/C18H28N4O4/c1-3-5-19-18(24)16-14-26-17(20-16)12-22-8-6-21(7-9-22)11-15(23)13-25-10-4-2/h2,14-15,23H,3,5-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeyUNIZCUYTKDZKIP-OAHLLOKOSA-N
MW364.45 g/mol
LogP-0.06
Rot. Bonds10

About 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide

2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 92986286) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID92986286
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESC#CCOC[C@H](O)CN1CCN(Cc2nc(C(=O)NCCC)co2)CC1
InChIInChI=1S/C18H28N4O4/c1-3-5-19-18(24)16-14-26-17(20-16)12-22-8-6-21(7-9-22)11-15(23)13-25-10-4-2/h2,14-15,23H,3,5-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeyUNIZCUYTKDZKIP-OAHLLOKOSA-N
XLogP-0.06
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 46051304
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-hydroxy-3-prop-2-ynoxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42855829
2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]-1,3-oxazole-4-carboxamide
CID 92986370
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
N-(4-chlorophenyl)-2-[[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986508
N-(3,4-dimethylphenyl)-2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051266
2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N,N-dipropyl-1,3-oxazole-4-carboxamide
CID 46051415
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986258
N-(4-chlorophenyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051363
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 92986286) is 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide is C#CCOC[C@H](O)CN1CCN(Cc2nc(C(=O)NCCC)co2)CC1.
What is the InChIKey of 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is UNIZCUYTKDZKIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-3-5-19-18(24)16-14-26-17(20-16)12-22-8-6-21(7-9-22)11-15(23)13-25-10-4-2/h2,14-15,23H,3,5-13H2,1H3,(H,19,24)/t15-/m1/s1.
What are the key properties of 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of -0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).