N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide

C11H16N2O3 — CID 66334957

IUPACN-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(C)CC1CC(O)C1
InChIInChI=1S/C11H16N2O3/c1-7-5-12-16-10(7)11(15)13(2)6-8-3-9(14)4-8/h5,8-9,14H,3-4,6H2,1-2H3
InChIKeyUIBRMBFLGNCQJO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.83
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 66334957) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID66334957
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N(C)CC1CC(O)C1
InChIInChI=1S/C11H16N2O3/c1-7-5-12-16-10(7)11(15)13(2)6-8-3-9(14)4-8/h5,8-9,14H,3-4,6H2,1-2H3
InChIKeyUIBRMBFLGNCQJO-UHFFFAOYSA-N
XLogP0.83
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide (CID 66334957) is N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)N(C)CC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is UIBRMBFLGNCQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-12-16-10(7)11(15)13(2)6-8-3-9(14)4-8/h5,8-9,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66334957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).