N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide

C20H20FN5O3 — CID 11625416

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)o2)c1
InChIInChI=1S/C20H20FN5O3/c1-13-3-2-4-14(11-13)23-20-25-24-19(29-20)18(27)22-15-5-6-17(16(21)12-15)26-7-9-28-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,22,27)(H,23,25)
InChIKeyRJTLZAAWLGYCOV-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.35
Rot. Bonds5

About N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 11625416) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
PubChem CID11625416
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)o2)c1
InChIInChI=1S/C20H20FN5O3/c1-13-3-2-4-14(11-13)23-20-25-24-19(29-20)18(27)22-15-5-6-17(16(21)12-15)26-7-9-28-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,22,27)(H,23,25)
InChIKeyRJTLZAAWLGYCOV-UHFFFAOYSA-N
XLogP3.35
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600935
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide;methanol
CID 143166416
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide (CID 11625416) is N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)o2)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RJTLZAAWLGYCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-13-3-2-4-14(11-13)23-20-25-24-19(29-20)18(27)22-15-5-6-17(16(21)12-15)26-7-9-28-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,22,27)(H,23,25).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 11625416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).