2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C21H23F2N3O3 — CID 42834432

IUPAC2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-3-14(2)26(11-15-6-7-16(22)9-18(15)23)12-20-25-19(13-29-20)21(27)24-10-17-5-4-8-28-17/h4-9,13-14H,3,10-12H2,1-2H3,(H,24,27)
InChIKeyCLUHATBQDPBOHJ-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.28
Rot. Bonds9

About 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42834432) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42834432
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-3-14(2)26(11-15-6-7-16(22)9-18(15)23)12-20-25-19(13-29-20)21(27)24-10-17-5-4-8-28-17/h4-9,13-14H,3,10-12H2,1-2H3,(H,24,27)
InChIKeyCLUHATBQDPBOHJ-UHFFFAOYSA-N
XLogP4.28
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
N-[[4-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415694
N-[(1S)-1-[4-[[(2S)-1-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]morpholine-4-carboxamide
CID 118732129
(3S,6S)-3,6-diisobutyl-4-(2-phenyloxazole-4-carbonyl)piperazin-2-one
CID 68158413
N-cyclohexyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 71449312
N-benzyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 849881
2-[Furan-2-ylmethyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]acetic acid
CID 44571127
N-(2,6-difluorobenzyl)-2-(furan-2-carboxamido)oxazole-4-carboxamide
CID 52907946
N-hexyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 71460139
N-[(3-fluorophenyl)methyl]-6-[(5-methylfuran-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134805214
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46218867

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42834432) is 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CCC(C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CLUHATBQDPBOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-3-14(2)26(11-15-6-7-16(22)9-18(15)23)12-20-25-19(13-29-20)21(27)24-10-17-5-4-8-28-17/h4-9,13-14H,3,10-12H2,1-2H3,(H,24,27).
What are the key properties of 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).