2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C12H17N5O2 — CID 64547519

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C12H17N5O2/c1-8-10(9(2)19-17-8)6-12(18)13-5-3-4-11-14-7-15-16-11/h7H,3-6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyNFJVLVOSHJUBSJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.70
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64547519) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64547519
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C12H17N5O2/c1-8-10(9(2)19-17-8)6-12(18)13-5-3-4-11-14-7-15-16-11/h7H,3-6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyNFJVLVOSHJUBSJ-UHFFFAOYSA-N
XLogP0.70
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
CID 64548284
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 64546330
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18133754
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64547519) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is Cc1noc(C)c1CC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is NFJVLVOSHJUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-10(9(2)19-17-8)6-12(18)13-5-3-4-11-14-7-15-16-11/h7H,3-6H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64547519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).