N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C11H18N2O2 — CID 51077918

IUPACN,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CC(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-8(2)5-11(14)13(4)7-10-6-9(3)15-12-10/h6,8H,5,7H2,1-4H3
InChIKeyIEFWXZDCEDSFOZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.99
Rot. Bonds4

About N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 51077918) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID51077918
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CC(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-8(2)5-11(14)13(4)7-10-6-9(3)15-12-10/h6,8H,5,7H2,1-4H3
InChIKeyIEFWXZDCEDSFOZ-UHFFFAOYSA-N
XLogP1.99
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 2225426
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
N,N-dicyclohexyl[5-(methylethyl)isoxazol-3-yl]carboxamide
CID 17253281
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
(1E)-N-allyloxy-2-[(5-tert-butylisoxazol-3-yl)methylamino]-2-oxo-acetimidoyl cyanide
CID 9575805
[(1R)-3-methyl-1-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetyl]amino]butyl]boronic acid
CID 153186851
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
N,N,5-Trimethyl-3-isoxazolecarboxamide
CID 10820772

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 51077918) is N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is Cc1cc(CN(C)C(=O)CC(C)C)no1.
What is the InChIKey of N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is IEFWXZDCEDSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)5-11(14)13(4)7-10-6-9(3)15-12-10/h6,8H,5,7H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 51077918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).