methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate

C22H35N3O4 — CID 156864548

IUPACmethyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
SMILESCCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2
InChIInChI=1S/C22H35N3O4/c1-6-15(13-23-20(27)28-5)19(26)25-9-7-22(8-10-25)11-16(12-22)18-24-17(14-29-18)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,23,27)
InChIKeyNVWKWQRIHZJQRV-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.84
Rot. Bonds5

About methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate

methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate (PubChem CID 156864548) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
PubChem CID156864548
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Namemethyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
SMILESCCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2
InChIInChI=1S/C22H35N3O4/c1-6-15(13-23-20(27)28-5)19(26)25-9-7-22(8-10-25)11-16(12-22)18-24-17(14-29-18)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,23,27)
InChIKeyNVWKWQRIHZJQRV-UHFFFAOYSA-N
XLogP3.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The IUPAC name of methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate (CID 156864548) is methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate is CCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2.
What is the InChIKey of methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The InChIKey is NVWKWQRIHZJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-6-15(13-23-20(27)28-5)19(26)25-9-7-22(8-10-25)11-16(12-22)18-24-17(14-29-18)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,23,27).
What are the key properties of methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate is sourced from PubChem (CID 156864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).