N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide

C21H28FN3O3 — CID 46028142

IUPACN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3
InChIKeyBMDPILRKXNOONW-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.71
Rot. Bonds7

About N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide

N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide (PubChem CID 46028142) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
PubChem CID46028142
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3
InChIKeyBMDPILRKXNOONW-UHFFFAOYSA-N
XLogP3.71
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide (CID 46028142) is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The InChIKey is BMDPILRKXNOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3.
What are the key properties of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide has a molecular weight of 389.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 46028142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).