N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C13H20N2O3 — CID 91954371

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(CO)CCC2)no1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-6-10(15-18-11)12(17)14-7-13(8-16)4-3-5-13/h6,9,16H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyRHPYUYFTIDWWLJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.69
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 91954371) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID91954371
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2(CO)CCC2)no1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-6-10(15-18-11)12(17)14-7-13(8-16)4-3-5-13/h6,9,16H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyRHPYUYFTIDWWLJ-UHFFFAOYSA-N
XLogP1.69
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111618886
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113294761
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115360483
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 91954371) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2(CO)CCC2)no1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RHPYUYFTIDWWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)11-6-10(15-18-11)12(17)14-7-13(8-16)4-3-5-13/h6,9,16H,3-5,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91954371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).