N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide

C19H20N6O2 — CID 126427910

IUPACN-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(NC[C@@H]1CNCCO1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C19H20N6O2/c26-19(21-12-17-11-20-9-10-27-17)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-22-24-25-23-18/h1-8,17,20H,9-12H2,(H,21,26)(H,22,23,24,25)/t17-/m0/s1
InChIKeyFLPZTSXUMUNHKG-KRWDZBQOSA-N
MW364.41 g/mol
LogP1.25
Rot. Bonds5

About N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide

N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 126427910) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID126427910
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(NC[C@@H]1CNCCO1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C19H20N6O2/c26-19(21-12-17-11-20-9-10-27-17)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-22-24-25-23-18/h1-8,17,20H,9-12H2,(H,21,26)(H,22,23,24,25)/t17-/m0/s1
InChIKeyFLPZTSXUMUNHKG-KRWDZBQOSA-N
XLogP1.25
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
CID 126426495
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
2-morpholin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 66427419
N-[[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-3-(2H-tetrazol-5-yl)benzamide
CID 123634243
N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126439822
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
N-[2-[(2R)-piperidin-2-yl]ethyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 126431115
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 167869800

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide (CID 126427910) is N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(NC[C@@H]1CNCCO1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is FLPZTSXUMUNHKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(21-12-17-11-20-9-10-27-17)16-7-3-14(4-8-16)13-1-5-15(6-2-13)18-22-24-25-23-18/h1-8,17,20H,9-12H2,(H,21,26)(H,22,23,24,25)/t17-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 126427910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).