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

C9H15N3O2 — CID 103605856

IUPAC2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-2-4-11-9(13)7-10-6-8-3-5-12-14-8/h3,5,10H,2,4,6-7H2,1H3,(H,11,13)
InChIKeyHGVPAISHFQKPFC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds6

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

2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide (PubChem CID 103605856) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
PubChem CID103605856
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-2-4-11-9(13)7-10-6-8-3-5-12-14-8/h3,5,10H,2,4,6-7H2,1H3,(H,11,13)
InChIKeyHGVPAISHFQKPFC-UHFFFAOYSA-N
XLogP0.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 106417912
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
CID 103605518
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
2-(tert-butylamino)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600446
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
CID 43399922
2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106421005
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide (CID 103605856) is 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide is CCCNC(=O)CNCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide?
The InChIKey is HGVPAISHFQKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-11-9(13)7-10-6-8-3-5-12-14-8/h3,5,10H,2,4,6-7H2,1H3,(H,11,13).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide?
2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide has a molecular weight of 197.24 g/mol, XLogP of 0.29, 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-propylacetamide is sourced from PubChem (CID 103605856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).