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

C13H21N3O3 — CID 79236389

IUPAC4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H21N3O3/c1-7(11-8(2)16-19-9(11)3)15-12(17)13(4)6-18-5-10(13)14/h7,10H,5-6,14H2,1-4H3,(H,15,17)
InChIKeyBYYHGSOREQWEQY-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.83
Rot. Bonds3

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

4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide (PubChem CID 79236389) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
PubChem CID79236389
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H21N3O3/c1-7(11-8(2)16-19-9(11)3)15-12(17)13(4)6-18-5-10(13)14/h7,10H,5-6,14H2,1-4H3,(H,15,17)
InChIKeyBYYHGSOREQWEQY-UHFFFAOYSA-N
XLogP0.83
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]oxolane-3-carboxamide
CID 106388310
methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
CID 66249249
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80598910
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
CID 66264615
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79236899
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
CID 66250852
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66262770
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
CID 79236864
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide (CID 79236389) is 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide is Cc1noc(C)c1C(C)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide?
The InChIKey is BYYHGSOREQWEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(11-8(2)16-19-9(11)3)15-12(17)13(4)6-18-5-10(13)14/h7,10H,5-6,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 79236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).