3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide

C12H17N5O3 — CID 104817461

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCOc1n[nH]c(NC(=O)CCc2c(C)noc2C)n1
InChIInChI=1S/C12H17N5O3/c1-4-19-12-14-11(15-16-12)13-10(18)6-5-9-7(2)17-20-8(9)3/h4-6H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyQVQCHWKUSGDMJX-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.38
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 104817461) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID104817461
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCOc1n[nH]c(NC(=O)CCc2c(C)noc2C)n1
InChIInChI=1S/C12H17N5O3/c1-4-19-12-14-11(15-16-12)13-10(18)6-5-9-7(2)17-20-8(9)3/h4-6H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyQVQCHWKUSGDMJX-UHFFFAOYSA-N
XLogP1.38
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 104817461) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide is CCOc1n[nH]c(NC(=O)CCc2c(C)noc2C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is QVQCHWKUSGDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-4-19-12-14-11(15-16-12)13-10(18)6-5-9-7(2)17-20-8(9)3/h4-6H2,1-3H3,(H2,13,14,15,16,18).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 279.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 104817461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).