N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C18H30N4O3 — CID 92986264

IUPACN-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C18H30N4O3/c1-14(23)11-21-7-9-22(10-8-21)12-17-20-16(13-25-17)18(24)19-15-5-3-2-4-6-15/h13-15,23H,2-12H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyKWVSIWGSFGYLMQ-CQSZACIVSA-N
MW350.46 g/mol
LogP1.24
Rot. Bonds6

About N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 92986264) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID92986264
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C18H30N4O3/c1-14(23)11-21-7-9-22(10-8-21)12-17-20-16(13-25-17)18(24)19-15-5-3-2-4-6-15/h13-15,23H,2-12H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyKWVSIWGSFGYLMQ-CQSZACIVSA-N
XLogP1.24
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986253
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986258
N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051687
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
N-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051294
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
N-cyclobutyl-2-[[4-[4-(cyclobutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 66661222
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051217
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
(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986750

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 92986264) is N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is C[C@@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1.
What is the InChIKey of N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KWVSIWGSFGYLMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-14(23)11-21-7-9-22(10-8-21)12-17-20-16(13-25-17)18(24)19-15-5-3-2-4-6-15/h13-15,23H,2-12H2,1H3,(H,19,24)/t14-/m1/s1.
What are the key properties of N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).