N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide

C22H32FN3O2 — CID 24719682

IUPACN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C22H32FN3O2/c1-7-25(8-2)22-19(14-26(16(5)6)20(27)13-15(3)4)21(24-28-22)17-9-11-18(23)12-10-17/h9-12,15-16H,7-8,13-14H2,1-6H3
InChIKeyPIDJUBFJKFOYAA-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.11
Rot. Bonds9

About N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide

N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 24719682) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide
PubChem CID24719682
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C22H32FN3O2/c1-7-25(8-2)22-19(14-26(16(5)6)20(27)13-15(3)4)21(24-28-22)17-9-11-18(23)12-10-17/h9-12,15-16H,7-8,13-14H2,1-6H3
InChIKeyPIDJUBFJKFOYAA-UHFFFAOYSA-N
XLogP5.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide (CID 24719682) is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide is CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)CC(C)C)C(C)C.
What is the InChIKey of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is PIDJUBFJKFOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-7-25(8-2)22-19(14-26(16(5)6)20(27)13-15(3)4)21(24-28-22)17-9-11-18(23)12-10-17/h9-12,15-16H,7-8,13-14H2,1-6H3.
What are the key properties of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide?
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 389.52 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 24719682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).