[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C16H26N4O3 — CID 56715974

IUPAC[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1
InChIInChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)15-11-14(23-17-15)12-18-7-9-22-10-8-18/h11,13H,3-10,12H2,1-2H3
InChIKeyUYCMZBNHXAOJGC-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.67
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 56715974) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID56715974
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1
InChIInChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)15-11-14(23-17-15)12-18-7-9-22-10-8-18/h11,13H,3-10,12H2,1-2H3
InChIKeyUYCMZBNHXAOJGC-UHFFFAOYSA-N
XLogP0.67
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
N-[1-[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 56755434
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56754888
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 95216265
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
CID 95199241
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56739715
[3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl]-[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanone
CID 91919970
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716

Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 56715974) is [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(CN3CCOCC3)on2)CC1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is UYCMZBNHXAOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13(2)19-3-5-20(6-4-19)16(21)15-11-14(23-17-15)12-18-7-9-22-10-8-18/h11,13H,3-10,12H2,1-2H3.
What are the key properties of [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56715974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).