(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

C17H22N6O3 — CID 157015401

IUPAC(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N6O3/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22)/t15-,16+/m1/s1
InChIKeyFEDVVORTFWQDSU-CVEARBPZSA-N
MW358.40 g/mol
LogP0.24
Rot. Bonds6

About (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide

(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (PubChem CID 157015401) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
PubChem CID157015401
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N6O3/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22)/t15-,16+/m1/s1
InChIKeyFEDVVORTFWQDSU-CVEARBPZSA-N
XLogP0.24
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide (CID 157015401) is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCCc2nn[nH]n2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is FEDVVORTFWQDSU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11(2)23-14(24)10-26-16(15(23)12-6-4-3-5-7-12)17(25)18-9-8-13-19-21-22-20-13/h3-7,11,15-16H,8-10H2,1-2H3,(H,18,25)(H,19,20,21,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide?
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 157015401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).