N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide

C16H20N4O3 — CID 110321343

IUPACN-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
SMILESCc1cccc(-c2nnc(CCNC(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C16H20N4O3/c1-12-3-2-4-13(11-12)15-19-18-14(23-15)5-6-17-16(21)20-7-9-22-10-8-20/h2-4,11H,5-10H2,1H3,(H,17,21)
InChIKeyJVAICAFRVCQICC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.63
Rot. Bonds4

About N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide

N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide (PubChem CID 110321343) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
PubChem CID110321343
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
SMILESCc1cccc(-c2nnc(CCNC(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C16H20N4O3/c1-12-3-2-4-13(11-12)15-19-18-14(23-15)5-6-17-16(21)20-7-9-22-10-8-20/h2-4,11H,5-10H2,1H3,(H,17,21)
InChIKeyJVAICAFRVCQICC-UHFFFAOYSA-N
XLogP1.63
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110319445
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124595151
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide (CID 110321343) is N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide is Cc1cccc(-c2nnc(CCNC(=O)N3CCOCC3)o2)c1.
What is the InChIKey of N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is JVAICAFRVCQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12-3-2-4-13(11-12)15-19-18-14(23-15)5-6-17-16(21)20-7-9-22-10-8-20/h2-4,11H,5-10H2,1H3,(H,17,21).
What are the key properties of N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide?
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 110321343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).