N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide

C19H24N2O4 — CID 138055490

IUPACN-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc2onc(CC(=O)NCC3(C4(O)CCC4)CCC3)c2c1
InChIInChI=1S/C19H24N2O4/c1-24-13-4-5-16-14(10-13)15(21-25-16)11-17(22)20-12-18(6-2-7-18)19(23)8-3-9-19/h4-5,10,23H,2-3,6-9,11-12H2,1H3,(H,20,22)
InChIKeyKGWZHQRXQVXYDG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.58
Rot. Bonds6

About N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide

N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide (PubChem CID 138055490) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide
PubChem CID138055490
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc2onc(CC(=O)NCC3(C4(O)CCC4)CCC3)c2c1
InChIInChI=1S/C19H24N2O4/c1-24-13-4-5-16-14(10-13)15(21-25-16)11-17(22)20-12-18(6-2-7-18)19(23)8-3-9-19/h4-5,10,23H,2-3,6-9,11-12H2,1H3,(H,20,22)
InChIKeyKGWZHQRXQVXYDG-UHFFFAOYSA-N
XLogP2.58
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]acetamide
CID 100731268
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate
CID 84820117
2-(1,2-benzoxazol-3-yl)-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]acetamide
CID 95972417
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803215

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide (CID 138055490) is N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide is COc1ccc2onc(CC(=O)NCC3(C4(O)CCC4)CCC3)c2c1.
What is the InChIKey of N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is KGWZHQRXQVXYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-13-4-5-16-14(10-13)15(21-25-16)11-17(22)20-12-18(6-2-7-18)19(23)8-3-9-19/h4-5,10,23H,2-3,6-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide?
N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 138055490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).