[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate

C19H27N3O5 — CID 126812872

IUPAC[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCC1CCCCN1C(=O)c1coc(CC2CC2)n1)N1CCOCC1
InChIInChI=1S/C19H27N3O5/c23-18(16-13-26-17(20-16)11-14-4-5-14)22-6-2-1-3-15(22)12-27-19(24)21-7-9-25-10-8-21/h13-15H,1-12H2
InChIKeyZBGLBEGDJCXOND-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.09
Rot. Bonds5

About [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate

[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate (PubChem CID 126812872) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
PubChem CID126812872
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCC1CCCCN1C(=O)c1coc(CC2CC2)n1)N1CCOCC1
InChIInChI=1S/C19H27N3O5/c23-18(16-13-26-17(20-16)11-14-4-5-14)22-6-2-1-3-15(22)12-27-19(24)21-7-9-25-10-8-21/h13-15H,1-12H2
InChIKeyZBGLBEGDJCXOND-UHFFFAOYSA-N
XLogP2.09
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124626454
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
CID 124841835
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949625
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126803064
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127894473
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 45167683
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84574009
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 95204810
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 56707163

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate (CID 126812872) is [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate is O=C(OCC1CCCCN1C(=O)c1coc(CC2CC2)n1)N1CCOCC1.
What is the InChIKey of [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The InChIKey is ZBGLBEGDJCXOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c23-18(16-13-26-17(20-16)11-14-4-5-14)22-6-2-1-3-15(22)12-27-19(24)21-7-9-25-10-8-21/h13-15H,1-12H2.
What are the key properties of [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 126812872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).