(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

C17H28N4O3 — CID 136586635

IUPAC(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)n1cccn1
InChIInChI=1S/C17H28N4O3/c1-17(2,21-7-3-6-19-21)13-18-16(22)15-5-4-14(24-15)12-20-8-10-23-11-9-20/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyIZXCNZPJDNOREE-CABCVRRESA-N
MW336.44 g/mol
LogP0.61
Rot. Bonds6

About (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide

(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (PubChem CID 136586635) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
PubChem CID136586635
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)n1cccn1
InChIInChI=1S/C17H28N4O3/c1-17(2,21-7-3-6-19-21)13-18-16(22)15-5-4-14(24-15)12-20-8-10-23-11-9-20/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyIZXCNZPJDNOREE-CABCVRRESA-N
XLogP0.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
[3-(methylaminomethyl)piperidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
CID 138050785
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797953
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
CID 120794872
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95134950
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide (CID 136586635) is (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is CC(C)(CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)n1cccn1.
What is the InChIKey of (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
The InChIKey is IZXCNZPJDNOREE-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,21-7-3-6-19-21)13-18-16(22)15-5-4-14(24-15)12-20-8-10-23-11-9-20/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,18,22)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide?
(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 136586635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).