(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C14H18ClFN6O2 — CID 120930079

IUPAC(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nnnn1-c1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1F.Cl
InChIInChI=1S/C14H17FN6O2.ClH/c1-8-13(16-5-6-23-8)14(22)17-10-3-4-11(15)12(7-10)21-9(2)18-19-20-21;/h3-4,7-8,13,16H,5-6H2,1-2H3,(H,17,22);1H/t8-,13+;/m1./s1
InChIKeyKQGOOPXHMDOEMV-LXOGKALOSA-N
MW356.79 g/mol
LogP0.85
Rot. Bonds3

About (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120930079) has the molecular formula C14H18ClFN6O2 and a molecular weight of 356.79 g/mol. Its IUPAC name is (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120930079
Molecular FormulaC14H18ClFN6O2
Molecular Weight356.79 g/mol
Exact Mass356.12
IUPAC Name(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nnnn1-c1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1F.Cl
InChIInChI=1S/C14H17FN6O2.ClH/c1-8-13(16-5-6-23-8)14(22)17-10-3-4-11(15)12(7-10)21-9(2)18-19-20-21;/h3-4,7-8,13,16H,5-6H2,1-2H3,(H,17,22);1H/t8-,13+;/m1./s1
InChIKeyKQGOOPXHMDOEMV-LXOGKALOSA-N
XLogP0.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
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(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932574
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95320049
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(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(4aR,8aS)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 129344839

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120930079) is (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1nnnn1-c1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1F.Cl.
What is the InChIKey of (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is KQGOOPXHMDOEMV-LXOGKALOSA-N. The full InChI is InChI=1S/C14H17FN6O2.ClH/c1-8-13(16-5-6-23-8)14(22)17-10-3-4-11(15)12(7-10)21-9(2)18-19-20-21;/h3-4,7-8,13,16H,5-6H2,1-2H3,(H,17,22);1H/t8-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120930079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).