N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H19N3O2S — CID 70777871

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(CCCNC(=O)c2cc(-c3ccccc3)on2)sc1C
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-17(20-12)9-6-10-19-18(22)15-11-16(23-21-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,22)
InChIKeyFCOHMLJMCGRCFB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 70777871) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID70777871
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(CCCNC(=O)c2cc(-c3ccccc3)on2)sc1C
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-17(20-12)9-6-10-19-18(22)15-11-16(23-21-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,22)
InChIKeyFCOHMLJMCGRCFB-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 72857542
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[4-(5-methyl-1,3-thiazol-4-yl)-4-oxobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 159012659
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619652
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 144922079
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 70777871) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1nc(CCCNC(=O)c2cc(-c3ccccc3)on2)sc1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FCOHMLJMCGRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-13(2)24-17(20-12)9-6-10-19-18(22)15-11-16(23-21-15)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70777871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).