2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide

C10H17N3O2 — CID 103605518

IUPAC2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccno1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-10(14)8(2)12-7-9-4-6-13-15-9/h4,6,8,12H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyMBWGFQMMXYGPAV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds6

About 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide

2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide (PubChem CID 103605518) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
PubChem CID103605518
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccno1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-10(14)8(2)12-7-9-4-6-13-15-9/h4,6,8,12H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyMBWGFQMMXYGPAV-UHFFFAOYSA-N
XLogP0.68
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
CID 103605856
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
2-(1,2-oxazol-5-ylmethylamino)butanamide
CID 106417605
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
CID 106417909
(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106416982
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
ethyl 2-(1,2-oxazol-5-ylmethylamino)-2-phenylacetate
CID 114186508
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide (CID 103605518) is 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide?
The InChIKey is MBWGFQMMXYGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-11-10(14)8(2)12-7-9-4-6-13-15-9/h4,6,8,12H,3,5,7H2,1-2H3,(H,11,14).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide?
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide is sourced from PubChem (CID 103605518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).