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

C13H23N3O2 — CID 114180290

IUPAC3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
SMILESCc1nc(CNC(=O)CC(N)C(C)(C)C)oc1C
InChIInChI=1S/C13H23N3O2/c1-8-9(2)18-12(16-8)7-15-11(17)6-10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,17)
InChIKeyZWIWFJHYRAGEDD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.67
Rot. Bonds4

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

3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide (PubChem CID 114180290) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
PubChem CID114180290
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
SMILESCc1nc(CNC(=O)CC(N)C(C)(C)C)oc1C
InChIInChI=1S/C13H23N3O2/c1-8-9(2)18-12(16-8)7-15-11(17)6-10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,17)
InChIKeyZWIWFJHYRAGEDD-UHFFFAOYSA-N
XLogP1.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.67
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]hexanamide
CID 114180296
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
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
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
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
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043579
3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106417021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide (CID 114180290) is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide is Cc1nc(CNC(=O)CC(N)C(C)(C)C)oc1C.
What is the InChIKey of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide?
The InChIKey is ZWIWFJHYRAGEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8-9(2)18-12(16-8)7-15-11(17)6-10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,17).
What are the key properties of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide?
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide has a molecular weight of 253.35 g/mol, XLogP of 1.67, 4 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]-4,4-dimethylpentanamide is sourced from PubChem (CID 114180290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).