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

C16H20N6O3 — CID 134695987

IUPAC(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C16H20N6O3/c1-10(2)22-13(23)9-25-15(14(22)11-6-4-3-5-7-11)16(24)17-8-12-18-20-21-19-12/h3-7,10,14-15H,8-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1
InChIKeyVXRMNHWZHHUOIG-CABCVRRESA-N
MW344.38 g/mol
LogP0.19
Rot. Bonds5

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

(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide (PubChem CID 134695987) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide
PubChem CID134695987
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C16H20N6O3/c1-10(2)22-13(23)9-25-15(14(22)11-6-4-3-5-7-11)16(24)17-8-12-18-20-21-19-12/h3-7,10,14-15H,8-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1
InChIKeyVXRMNHWZHHUOIG-CABCVRRESA-N
XLogP0.19
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.19
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-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide (CID 134695987) is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCc2nn[nH]n2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide?
The InChIKey is VXRMNHWZHHUOIG-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N6O3/c1-10(2)22-13(23)9-25-15(14(22)11-6-4-3-5-7-11)16(24)17-8-12-18-20-21-19-12/h3-7,10,14-15H,8-9H2,1-2H3,(H,17,24)(H,18,19,20,21)/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide?
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 0.19, 5 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-(2H-tetrazol-5-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 134695987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).