N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide

C21H26N2O4 — CID 118536804

IUPACN-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C21H26N2O4/c24-21(22-11-16-7-8-25-13-16)20-10-19(27-23-20)14-26-12-15-5-6-17-3-1-2-4-18(17)9-15/h5-6,9-10,16H,1-4,7-8,11-14H2,(H,22,24)
InChIKeyAQWQBKWRJCNWEQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.04
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536804) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536804
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C21H26N2O4/c24-21(22-11-16-7-8-25-13-16)20-10-19(27-23-20)14-26-12-15-5-6-17-3-1-2-4-18(17)9-15/h5-6,9-10,16H,1-4,7-8,11-14H2,(H,22,24)
InChIKeyAQWQBKWRJCNWEQ-UHFFFAOYSA-N
XLogP3.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078
N-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118698708
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977
5-[(4-chloro-2-fluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325753
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
5-[3-(4-chlorophenyl)propyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325749
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide (CID 118536804) is N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCc2ccc3c(c2)CCCC3)on1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AQWQBKWRJCNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-21(22-11-16-7-8-25-13-16)20-10-19(27-23-20)14-26-12-15-5-6-17-3-1-2-4-18(17)9-15/h5-6,9-10,16H,1-4,7-8,11-14H2,(H,22,24).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).