4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide

C12H19N3O3 — CID 106388310

IUPAC4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(C)COCC2N)o1
InChIInChI=1S/C12H19N3O3/c1-7-4-14-10(18-7)8(2)15-11(16)12(3)6-17-5-9(12)13/h4,8-9H,5-6,13H2,1-3H3,(H,15,16)
InChIKeyAQKDKUJJSVWEIA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.52
Rot. Bonds3

About 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 106388310) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID106388310
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(C)COCC2N)o1
InChIInChI=1S/C12H19N3O3/c1-7-4-14-10(18-7)8(2)15-11(16)12(3)6-17-5-9(12)13/h4,8-9H,5-6,13H2,1-3H3,(H,15,16)
InChIKeyAQKDKUJJSVWEIA-UHFFFAOYSA-N
XLogP0.52
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
CID 79236389
1-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 114182378
methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
CID 66249249
4-amino-N-[1-(3-fluorophenyl)ethyl]-3-methyloxolane-3-carboxamide
CID 66248505
2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-2-carboxamide
CID 114182396
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66262770
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide (CID 106388310) is 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide is Cc1cnc(C(C)NC(=O)C2(C)COCC2N)o1.
What is the InChIKey of 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is AQKDKUJJSVWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-4-14-10(18-7)8(2)15-11(16)12(3)6-17-5-9(12)13/h4,8-9H,5-6,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106388310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).