5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

C14H16N6O — CID 72848233

IUPAC5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1
InChIInChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWLWKGSNAHLXCJJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.97
Rot. Bonds5

About 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (PubChem CID 72848233) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
PubChem CID72848233
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1
InChIInChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWLWKGSNAHLXCJJ-UHFFFAOYSA-N
XLogP1.97
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
CID 3233854
3-Methyl-5-(4-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole
CID 73945339
4-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(isoxazol-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 46995160
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 53500752
N-[(5-isobutyl-3-isoxazolyl)methyl]-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56896307
(5-Methyl-1,2-oxazol-3-yl)-[4-(1-methylpyrazol-4-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 97404796
3,5-Dimethyl-4-[[4-(1-methylpyrazol-4-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methyl]-1,2-oxazole
CID 97516159
3,5-Dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 118740409
6-tert-butyl-N-[(5-isobutyl-3-isoxazolyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56889214
3-(1-benzyl-1H-imidazol-2-yl)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]piperidine
CID 70739906
5-{1-[(3-pyridin-2-ylisoxazol-5-yl)methyl]-1H-1,2,3-triazol-4-yl}pyrimidine
CID 72866664
N-[(5-isopropyl-3-isoxazolyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70743882

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (CID 72848233) is 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is CC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is WLWKGSNAHLXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 284.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 72848233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).