4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide

C19H18N6O4 — CID 167799493

IUPAC4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nn[nH]c2=O)cc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18N6O4/c26-17-12-29-11-16(24(17)10-13-4-2-1-3-5-13)18(27)20-14-6-8-15(9-7-14)25-19(28)21-22-23-25/h1-9,16H,10-12H2,(H,20,27)(H,21,23,28)
InChIKeyJJOSDKCBHITMOX-UHFFFAOYSA-N
MW394.39 g/mol
LogP0.32
Rot. Bonds5

About 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide

4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide (PubChem CID 167799493) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide
PubChem CID167799493
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nn[nH]c2=O)cc1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18N6O4/c26-17-12-29-11-16(24(17)10-13-4-2-1-3-5-13)18(27)20-14-6-8-15(9-7-14)25-19(28)21-22-23-25/h1-9,16H,10-12H2,(H,20,27)(H,21,23,28)
InChIKeyJJOSDKCBHITMOX-UHFFFAOYSA-N
XLogP0.32
TPSA122.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-4-benzyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97075645
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023
(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95985544
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 95368623
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide
CID 56765990
(3S)-4-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxomorpholine-3-carboxamide
CID 95985527
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide (CID 167799493) is 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide is O=C(Nc1ccc(-n2nn[nH]c2=O)cc1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide?
The InChIKey is JJOSDKCBHITMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c26-17-12-29-11-16(24(17)10-13-4-2-1-3-5-13)18(27)20-14-6-8-15(9-7-14)25-19(28)21-22-23-25/h1-9,16H,10-12H2,(H,20,27)(H,21,23,28).
What are the key properties of 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide?
4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 167799493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).