(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide

C18H22N4O3 — CID 134696733

IUPAC(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-12(2)22-15(23)11-25-17(16(22)13-6-4-3-5-7-13)18(24)19-10-14-8-9-20-21-14/h3-9,12,16-17H,10-11H2,1-2H3,(H,19,24)(H,20,21)/t16-,17+/m1/s1
InChIKeyHVPUVVPTNPMGLC-SJORKVTESA-N
MW342.40 g/mol
LogP1.40
Rot. Bonds5

About (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide

(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide (PubChem CID 134696733) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
PubChem CID134696733
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O3/c1-12(2)22-15(23)11-25-17(16(22)13-6-4-3-5-7-13)18(24)19-10-14-8-9-20-21-14/h3-9,12,16-17H,10-11H2,1-2H3,(H,19,24)(H,20,21)/t16-,17+/m1/s1
InChIKeyHVPUVVPTNPMGLC-SJORKVTESA-N
XLogP1.40
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134712674
(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 162634756
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 156586551
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134710294
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide (CID 134696733) is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The InChIKey is HVPUVVPTNPMGLC-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)22-15(23)11-25-17(16(22)13-6-4-3-5-7-13)18(24)19-10-14-8-9-20-21-14/h3-9,12,16-17H,10-11H2,1-2H3,(H,19,24)(H,20,21)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 134696733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).