3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

C16H23N5O2 — CID 86772376

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCCc1nnc2n1CC(NC(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C16H23N5O2/c1-4-14-18-19-15-7-5-12(9-21(14)15)17-16(22)8-6-13-10(2)20-23-11(13)3/h12H,4-9H2,1-3H3,(H,17,22)
InChIKeyUBLYOWAVAGQVQL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.51
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (PubChem CID 86772376) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
PubChem CID86772376
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCCc1nnc2n1CC(NC(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C16H23N5O2/c1-4-14-18-19-15-7-5-12(9-21(14)15)17-16(22)8-6-13-10(2)20-23-11(13)3/h12H,4-9H2,1-3H3,(H,17,22)
InChIKeyUBLYOWAVAGQVQL-UHFFFAOYSA-N
XLogP1.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide with MolForge

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 136714184
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772386
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95302274
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]propanamide
CID 45211347
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (CID 86772376) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is CCc1nnc2n1CC(NC(=O)CCc1c(C)noc1C)CC2.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The InChIKey is UBLYOWAVAGQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-14-18-19-15-7-5-12(9-21(14)15)17-16(22)8-6-13-10(2)20-23-11(13)3/h12H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 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-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 86772376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).