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

C24H28FN3O3 — CID 93097615

IUPACN-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C24H28FN3O3/c1-4-17(2)26-24(29)22-16-31-23(27-22)15-28(13-18-5-9-20(25)10-6-18)14-19-7-11-21(30-3)12-8-19/h5-12,16-17H,4,13-15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyTXBJBMUYZPXCGY-KRWDZBQOSA-N
MW425.50 g/mol
LogP4.55
Rot. Bonds10

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

N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 93097615) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID93097615
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C24H28FN3O3/c1-4-17(2)26-24(29)22-16-31-23(27-22)15-28(13-18-5-9-20(25)10-6-18)14-19-7-11-21(30-3)12-8-19/h5-12,16-17H,4,13-15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyTXBJBMUYZPXCGY-KRWDZBQOSA-N
XLogP4.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2R)-butan-2-yl]-2-[[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156801
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
N-butan-2-yl-2-[[butan-2-yl-(4-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3950023
N-[(2R)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155436
N-[(2R)-butan-2-yl]-2-[[(2-methoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156285
N-[(2S)-butan-2-yl]-2-[[(4-ethoxyphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 129423450
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98627933
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42834337
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42834911
2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-N-[(2S)-butan-2-yl]-1,3-oxazole-4-carboxamide
CID 93157238

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 93097615) is N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(OC)cc2)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TXBJBMUYZPXCGY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-4-17(2)26-24(29)22-16-31-23(27-22)15-28(13-18-5-9-20(25)10-6-18)14-19-7-11-21(30-3)12-8-19/h5-12,16-17H,4,13-15H2,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93097615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).