N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide

C13H22N2O3 — CID 86985859

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide
SMILESCc1cc(CN(C)C(=O)CCOCC(C)C)no1
InChIInChI=1S/C13H22N2O3/c1-10(2)9-17-6-5-13(16)15(4)8-12-7-11(3)18-14-12/h7,10H,5-6,8-9H2,1-4H3
InChIKeyGYKMBXBWMNTQCN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.00
Rot. Bonds7

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide (PubChem CID 86985859) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide
PubChem CID86985859
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide
SMILESCc1cc(CN(C)C(=O)CCOCC(C)C)no1
InChIInChI=1S/C13H22N2O3/c1-10(2)9-17-6-5-13(16)15(4)8-12-7-11(3)18-14-12/h7,10H,5-6,8-9H2,1-4H3
InChIKeyGYKMBXBWMNTQCN-UHFFFAOYSA-N
XLogP2.00
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
2-(cyclopropylmethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86991307
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
2-(4-ethylphenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929165

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide (CID 86985859) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide is Cc1cc(CN(C)C(=O)CCOCC(C)C)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is GYKMBXBWMNTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)9-17-6-5-13(16)15(4)8-12-7-11(3)18-14-12/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 254.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 86985859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).