N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide

C18H27N3O3 — CID 124796877

IUPACN-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide
SMILESCc1cc(CN2CC3(CC[C@H](CNC(=O)C4CCC4)CO3)C2)no1
InChIInChI=1S/C18H27N3O3/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15/h7,14-15H,2-6,8-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyGHXAVXQBJBZASR-CQSZACIVSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds5

About N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide

N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide (PubChem CID 124796877) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide
PubChem CID124796877
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide
SMILESCc1cc(CN2CC3(CC[C@H](CNC(=O)C4CCC4)CO3)C2)no1
InChIInChI=1S/C18H27N3O3/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15/h7,14-15H,2-6,8-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyGHXAVXQBJBZASR-CQSZACIVSA-N
XLogP1.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide (CID 124796877) is N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide is Cc1cc(CN2CC3(CC[C@H](CNC(=O)C4CCC4)CO3)C2)no1.
What is the InChIKey of N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide?
The InChIKey is GHXAVXQBJBZASR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-7-16(20-24-13)9-21-11-18(12-21)6-5-14(10-23-18)8-19-17(22)15-3-2-4-15/h7,14-15H,2-6,8-12H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide?
N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 124796877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).