(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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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).