[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol

C14H15N5O2 — CID 82210500

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1noc(C)c1Cn1nnc(CO)c1-c1ccncc1
InChIInChI=1S/C14H15N5O2/c1-9-12(10(2)21-17-9)7-19-14(13(8-20)16-18-19)11-3-5-15-6-4-11/h3-6,20H,7-8H2,1-2H3
InChIKeyYHFMLOQRPZYSRU-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.49
Rot. Bonds4

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol (PubChem CID 82210500) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
PubChem CID82210500
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1noc(C)c1Cn1nnc(CO)c1-c1ccncc1
InChIInChI=1S/C14H15N5O2/c1-9-12(10(2)21-17-9)7-19-14(13(8-20)16-18-19)11-3-5-15-6-4-11/h3-6,20H,7-8H2,1-2H3
InChIKeyYHFMLOQRPZYSRU-UHFFFAOYSA-N
XLogP1.49
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol (CID 82210500) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol is Cc1noc(C)c1Cn1nnc(CO)c1-c1ccncc1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The InChIKey is YHFMLOQRPZYSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-12(10(2)21-17-9)7-19-14(13(8-20)16-18-19)11-3-5-15-6-4-11/h3-6,20H,7-8H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol has a molecular weight of 285.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-pyridin-4-yltriazol-4-yl]methanol is sourced from PubChem (CID 82210500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).