N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide

C10H16N2O3 — CID 159486381

IUPACN-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1noc(OC)c1C
InChIInChI=1S/C10H16N2O3/c1-4-5-6-11-9(13)8-7(2)10(14-3)15-12-8/h4-6H2,1-3H3,(H,11,13)
InChIKeyNQZMHFWKFPIBNJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.52
Rot. Bonds5

About N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide

N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 159486381) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID159486381
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1noc(OC)c1C
InChIInChI=1S/C10H16N2O3/c1-4-5-6-11-9(13)8-7(2)10(14-3)15-12-8/h4-6H2,1-3H3,(H,11,13)
InChIKeyNQZMHFWKFPIBNJ-UHFFFAOYSA-N
XLogP1.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)-3-methylbutyl]-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide
CID 135132534
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-amino-N-butyl-2H-triazole-4-carboxamide
CID 110484769
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118698826
N-butyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427639
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
CID 43406076
N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696270

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide (CID 159486381) is N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide is CCCCNC(=O)c1noc(OC)c1C.
What is the InChIKey of N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NQZMHFWKFPIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-6-11-9(13)8-7(2)10(14-3)15-12-8/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide?
N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159486381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).