N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide

C23H28FN5O5 — CID 146067442

IUPACN-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1nnn2c1COC1(CCN(C(=O)COc3ccc(F)cc3)C1)C2)C1CCOCC1
InChIInChI=1S/C23H28FN5O5/c24-17-1-3-18(4-2-17)33-13-21(30)28-8-7-23(14-28)15-29-20(12-34-23)19(26-27-29)11-25-22(31)16-5-9-32-10-6-16/h1-4,16H,5-15H2,(H,25,31)
InChIKeyNAVLMPWPGYXOJY-UHFFFAOYSA-N
MW473.51 g/mol
LogP1.04
Rot. Bonds6

About N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide

N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide (PubChem CID 146067442) has the molecular formula C23H28FN5O5 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
PubChem CID146067442
Molecular FormulaC23H28FN5O5
Molecular Weight473.51 g/mol
Exact Mass473.21
IUPAC NameN-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1nnn2c1COC1(CCN(C(=O)COc3ccc(F)cc3)C1)C2)C1CCOCC1
InChIInChI=1S/C23H28FN5O5/c24-17-1-3-18(4-2-17)33-13-21(30)28-8-7-23(14-28)15-29-20(12-34-23)19(26-27-29)11-25-22(31)16-5-9-32-10-6-16/h1-4,16H,5-15H2,(H,25,31)
InChIKeyNAVLMPWPGYXOJY-UHFFFAOYSA-N
XLogP1.04
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]propane-1-sulfonamide
CID 146069751
N-[[1'-(1-ethylpyrazole-4-carbonyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
CID 146067571
N-[(1'-methylsulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl)methyl]oxane-4-carboxamide
CID 146067574
N-[[1'-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
CID 146067438
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-[[1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]propane-2-sulfonamide
CID 146067643
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
N-cyclohexyl-2-[2-(4-fluorophenoxy)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912674
1,1-diethyl-3-[[1'-(1-methylcyclohexanecarbonyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]urea
CID 146067639
3-[[(2-ethylpyrazole-3-carbonyl)amino]methyl]-N-(3-methoxypropyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-carboxamide
CID 154582187
(5-methyl-1H-pyrazol-3-yl)-[3-(phenoxymethyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]methanone
CID 154582159

Frequently Asked Questions

What is the IUPAC name of N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide (CID 146067442) is N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide is O=C(NCc1nnn2c1COC1(CCN(C(=O)COc3ccc(F)cc3)C1)C2)C1CCOCC1.
What is the InChIKey of N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide?
The InChIKey is NAVLMPWPGYXOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O5/c24-17-1-3-18(4-2-17)33-13-21(30)28-8-7-23(14-28)15-29-20(12-34-23)19(26-27-29)11-25-22(31)16-5-9-32-10-6-16/h1-4,16H,5-15H2,(H,25,31).
What are the key properties of N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide?
N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1'-[2-(4-fluorophenoxy)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 146067442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).