(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C25H26FN5O4 — CID 46853221

IUPAC(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESNC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1
InChIInChI=1S/C25H26FN5O4/c26-18-4-1-16(2-5-18)17-3-6-22(28-14-17)31-9-7-25(8-10-31)12-19(13-25)29-24(33)34-15-20-11-21(23(27)32)30-35-20/h1-6,11,14,19H,7-10,12-13,15H2,(H2,27,32)(H,29,33)
InChIKeyDQKNFOBANMFOCP-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.65
Rot. Bonds6

About (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 46853221) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID46853221
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESNC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1
InChIInChI=1S/C25H26FN5O4/c26-18-4-1-16(2-5-18)17-3-6-22(28-14-17)31-9-7-25(8-10-31)12-19(13-25)29-24(33)34-15-20-11-21(23(27)32)30-35-20/h1-6,11,14,19H,7-10,12-13,15H2,(H2,27,32)(H,29,33)
InChIKeyDQKNFOBANMFOCP-UHFFFAOYSA-N
XLogP3.65
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 46853221) is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is NC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1.
What is the InChIKey of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is DQKNFOBANMFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c26-18-4-1-16(2-5-18)17-3-6-22(28-14-17)31-9-7-25(8-10-31)12-19(13-25)29-24(33)34-15-20-11-21(23(27)32)30-35-20/h1-6,11,14,19H,7-10,12-13,15H2,(H2,27,32)(H,29,33).
What are the key properties of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 479.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 46853221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).