(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide

C19H18N6O3 — CID 162627584

IUPAC(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H18N6O3/c26-15-11-28-17(16(21-15)13-6-2-1-3-7-13)19(27)20-10-12-5-4-8-14(9-12)18-22-24-25-23-18/h1-9,16-17H,10-11H2,(H,20,27)(H,21,26)(H,22,23,24,25)/t16-,17+/m1/s1
InChIKeyCBXSUAFRLPXDAD-SJORKVTESA-N
MW378.39 g/mol
LogP0.74
Rot. Bonds5

About (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide

(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 162627584) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID162627584
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H18N6O3/c26-15-11-28-17(16(21-15)13-6-2-1-3-7-13)19(27)20-10-12-5-4-8-14(9-12)18-22-24-25-23-18/h1-9,16-17H,10-11H2,(H,20,27)(H,21,26)(H,22,23,24,25)/t16-,17+/m1/s1
InChIKeyCBXSUAFRLPXDAD-SJORKVTESA-N
XLogP0.74
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide (CID 162627584) is (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide is O=C1CO[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is CBXSUAFRLPXDAD-SJORKVTESA-N. The full InChI is InChI=1S/C19H18N6O3/c26-15-11-28-17(16(21-15)13-6-2-1-3-7-13)19(27)20-10-12-5-4-8-14(9-12)18-22-24-25-23-18/h1-9,16-17H,10-11H2,(H,20,27)(H,21,26)(H,22,23,24,25)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
(2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 162627584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).