2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

C19H26FN3O3 — CID 42834337

IUPAC2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)N(Cc1ccc(F)cc1)Cc1nc(C(=O)NCCOC)co1
InChIInChI=1S/C19H26FN3O3/c1-4-14(2)23(11-15-5-7-16(20)8-6-15)12-18-22-17(13-26-18)19(24)21-9-10-25-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyZCUJPSHAXNJUJW-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.99
Rot. Bonds10

About 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42834337) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID42834337
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)N(Cc1ccc(F)cc1)Cc1nc(C(=O)NCCOC)co1
InChIInChI=1S/C19H26FN3O3/c1-4-14(2)23(11-15-5-7-16(20)8-6-15)12-18-22-17(13-26-18)19(24)21-9-10-25-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyZCUJPSHAXNJUJW-UHFFFAOYSA-N
XLogP2.99
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.99
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

2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834338
2-[[(3,4-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42829401
N-(2-methoxyethyl)-2-[[1-phenylethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833028
2-[[(4-fluorophenyl)methyl-[(3-methylphenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 46000364
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835099
2-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834971
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93097615
2-[[butan-2-yl-[(2-methoxyphenyl)methyl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42835126
N-(2-methoxyethyl)-2-[[1-phenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46149284
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42831475
N-[(2R)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156787
N-(2-methoxyethyl)-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156712

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (CID 42834337) is 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is CCC(C)N(Cc1ccc(F)cc1)Cc1nc(C(=O)NCCOC)co1.
What is the InChIKey of 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZCUJPSHAXNJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-4-14(2)23(11-15-5-7-16(20)8-6-15)12-18-22-17(13-26-18)19(24)21-9-10-25-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,21,24).
What are the key properties of 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).