(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone

C15H25N3O4 — CID 95759484

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C15H25N3O4/c1-4-21-10-13(19)9-17-5-7-18(8-6-17)15(20)14-11(2)16-22-12(14)3/h13,19H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyOMINJDOPLSSEPQ-CYBMUJFWSA-N
MW311.38 g/mol
LogP0.45
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95759484) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95759484
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C15H25N3O4/c1-4-21-10-13(19)9-17-5-7-18(8-6-17)15(20)14-11(2)16-22-12(14)3/h13,19H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyOMINJDOPLSSEPQ-CYBMUJFWSA-N
XLogP0.45
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 97209125
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136528767
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95759484) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone is CCOC[C@H](O)CN1CCN(C(=O)c2c(C)noc2C)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is OMINJDOPLSSEPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-21-10-13(19)9-17-5-7-18(8-6-17)15(20)14-11(2)16-22-12(14)3/h13,19H,4-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).