2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide

C18H23FN4O2 — CID 136568091

IUPAC2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cnc2n1CCOC2
InChIInChI=1S/C18H23FN4O2/c1-13(2)22(10-16-9-20-17-12-25-8-7-23(16)17)11-18(24)21-15-5-3-14(19)4-6-15/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyWAUQGVWPGGMHBL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds6

About 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide

2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 136568091) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID136568091
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cnc2n1CCOC2
InChIInChI=1S/C18H23FN4O2/c1-13(2)22(10-16-9-20-17-12-25-8-7-23(16)17)11-18(24)21-15-5-3-14(19)4-6-15/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyWAUQGVWPGGMHBL-UHFFFAOYSA-N
XLogP2.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide (CID 136568091) is 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide is CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cnc2n1CCOC2.
What is the InChIKey of 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is WAUQGVWPGGMHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(2)22(10-16-9-20-17-12-25-8-7-23(16)17)11-18(24)21-15-5-3-14(19)4-6-15/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide?
2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl(propan-2-yl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136568091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).