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

C10H17N3O3 — CID 107093435

IUPAC4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O3/c1-7-5-13-10(16-7)6-12-9(14)3-8(4-11)15-2/h5,8H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyIIKAOQKEQYKCOE-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.04
Rot. Bonds6

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

4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (PubChem CID 107093435) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
PubChem CID107093435
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O3/c1-7-5-13-10(16-7)6-12-9(14)3-8(4-11)15-2/h5,8H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyIIKAOQKEQYKCOE-UHFFFAOYSA-N
XLogP-0.04
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 106371544
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-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586
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
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
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide (CID 107093435) is 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is COC(CN)CC(=O)NCc1ncc(C)o1.
What is the InChIKey of 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
The InChIKey is IIKAOQKEQYKCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-5-13-10(16-7)6-12-9(14)3-8(4-11)15-2/h5,8H,3-4,6,11H2,1-2H3,(H,12,14).
What are the key properties of 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide?
4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide has a molecular weight of 227.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide is sourced from PubChem (CID 107093435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).