N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

C27H33FN4O3 — CID 24719325

IUPACN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C27H33FN4O3/c1-5-19(2)32(26(33)21-7-6-8-23(17-21)34-4)18-24-25(20-9-11-22(28)12-10-20)29-35-27(24)31-15-13-30(3)14-16-31/h6-12,17,19H,5,13-16,18H2,1-4H3
InChIKeyDNXHWVAAAIDWOM-UHFFFAOYSA-N
MW480.58 g/mol
LogP4.68
Rot. Bonds8

About N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide

N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 24719325) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
PubChem CID24719325
Molecular FormulaC27H33FN4O3
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC NameN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
SMILESCCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C27H33FN4O3/c1-5-19(2)32(26(33)21-7-6-8-23(17-21)34-4)18-24-25(20-9-11-22(28)12-10-20)29-35-27(24)31-15-13-30(3)14-16-31/h6-12,17,19H,5,13-16,18H2,1-4H3
InChIKeyDNXHWVAAAIDWOM-UHFFFAOYSA-N
XLogP4.68
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 93207780
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyacetamide
CID 93222250
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207768
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
CID 93222239
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207767
3-methoxy-N-(3-methylbutyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843865
N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 46027710
3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153579
N-[(2S)-butan-2-yl]-3-fluoro-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207888
N-butan-2-yl-4-methoxy-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 42842164
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 24719750
3-ethyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 24719798

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide (CID 24719325) is N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is CCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is DNXHWVAAAIDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c1-5-19(2)32(26(33)21-7-6-8-23(17-21)34-4)18-24-25(20-9-11-22(28)12-10-20)29-35-27(24)31-15-13-30(3)14-16-31/h6-12,17,19H,5,13-16,18H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide?
N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 480.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 24719325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).