N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride

C13H15ClN4O3 — CID 119762118

IUPACN-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ncon2)cc1)C1COCCN1
InChIInChI=1S/C13H14N4O3.ClH/c18-13(11-7-19-6-5-14-11)16-10-3-1-9(2-4-10)12-15-8-20-17-12;/h1-4,8,11,14H,5-7H2,(H,16,18);1H
InChIKeyUIVINLOTHANNDG-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.09
Rot. Bonds3

About N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119762118) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119762118
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC NameN-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2ncon2)cc1)C1COCCN1
InChIInChI=1S/C13H14N4O3.ClH/c18-13(11-7-19-6-5-14-11)16-10-3-1-9(2-4-10)12-15-8-20-17-12;/h1-4,8,11,14H,5-7H2,(H,16,18);1H
InChIKeyUIVINLOTHANNDG-UHFFFAOYSA-N
XLogP1.09
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,2,4-oxadiazol-3-yl)phenyl]piperidine-2-carboxamide
CID 119311035
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-2-carboxamide
CID 119762149
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119714110
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(1,2,4-oxadiazol-3-ylmethyl)morpholine-3-carboxamide
CID 106397009
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119762118) is N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2ncon2)cc1)C1COCCN1.
What is the InChIKey of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is UIVINLOTHANNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3.ClH/c18-13(11-7-19-6-5-14-11)16-10-3-1-9(2-4-10)12-15-8-20-17-12;/h1-4,8,11,14H,5-7H2,(H,16,18);1H.
What are the key properties of N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 310.74 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119762118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).