3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide

C12H21N3O2 — CID 114180296

IUPAC3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
SMILESCCCC(N)CC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H21N3O2/c1-4-5-10(13)6-11(16)14-7-12-15-8(2)9(3)17-12/h10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyUMDQWABKTLQGQC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.43
Rot. Bonds6

About 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide

3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide (PubChem CID 114180296) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
PubChem CID114180296
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
SMILESCCCC(N)CC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H21N3O2/c1-4-5-10(13)6-11(16)14-7-12-15-8(2)9(3)17-12/h10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyUMDQWABKTLQGQC-UHFFFAOYSA-N
XLogP1.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
CID 114180290
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
CID 106371689
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106371744

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide?
The IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide (CID 114180296) is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide is CCCC(N)CC(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide?
The InChIKey is UMDQWABKTLQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-10(13)6-11(16)14-7-12-15-8(2)9(3)17-12/h10H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide?
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide is sourced from PubChem (CID 114180296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).