(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol

C14H14N4O2 — CID 141297246

IUPAC(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol
SMILESCc1nocc1[C@H](O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H14N4O2/c1-10-12(9-20-16-10)14(19)13-8-18(17-15-13)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3/t14-/m0/s1
InChIKeyLOZCMNAPUVVPOM-AWEZNQCLSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds4

About (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol

(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol (PubChem CID 141297246) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol
PubChem CID141297246
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol
SMILESCc1nocc1[C@H](O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H14N4O2/c1-10-12(9-20-16-10)14(19)13-8-18(17-15-13)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3/t14-/m0/s1
InChIKeyLOZCMNAPUVVPOM-AWEZNQCLSA-N
XLogP1.70
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol?
The IUPAC name of (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol (CID 141297246) is (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol is Cc1nocc1[C@H](O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol?
The InChIKey is LOZCMNAPUVVPOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-12(9-20-16-10)14(19)13-8-18(17-15-13)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol?
(S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol has a molecular weight of 270.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-benzyltriazol-4-yl)-(3-methyl-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 141297246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).