3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide

C11H19N3O2 — CID 106371544

IUPAC3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ncc(C)o1
InChIInChI=1S/C11H19N3O2/c1-3-9(5-12)4-10(15)13-7-11-14-6-8(2)16-11/h6,9H,3-5,7,12H2,1-2H3,(H,13,15)
InChIKeyBKPSPSZVQCLLMV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds6

About 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide

3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide (PubChem CID 106371544) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
PubChem CID106371544
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ncc(C)o1
InChIInChI=1S/C11H19N3O2/c1-3-9(5-12)4-10(15)13-7-11-14-6-8(2)16-11/h6,9H,3-5,7,12H2,1-2H3,(H,13,15)
InChIKeyBKPSPSZVQCLLMV-UHFFFAOYSA-N
XLogP0.97
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 107093435
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide (CID 106371544) is 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ncc(C)o1.
What is the InChIKey of 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The InChIKey is BKPSPSZVQCLLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(5-12)4-10(15)13-7-11-14-6-8(2)16-11/h6,9H,3-5,7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide has a molecular weight of 225.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 106371544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).