5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole

C19H32N4O — CID 167209126

IUPAC5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)CCC(C)c2nc(C(C)C)nn2C)nc1C(C)C
InChIInChI=1S/C19H32N4O/c1-11(2)16-15(7)24-19(20-16)14(6)10-9-13(5)18-21-17(12(3)4)22-23(18)8/h11-14H,9-10H2,1-8H3
InChIKeyNALGHZUATMAMSQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.05
Rot. Bonds7

About 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole

5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole (PubChem CID 167209126) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole
PubChem CID167209126
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)CCC(C)c2nc(C(C)C)nn2C)nc1C(C)C
InChIInChI=1S/C19H32N4O/c1-11(2)16-15(7)24-19(20-16)14(6)10-9-13(5)18-21-17(12(3)4)22-23(18)8/h11-14H,9-10H2,1-8H3
InChIKeyNALGHZUATMAMSQ-UHFFFAOYSA-N
XLogP5.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole (CID 167209126) is 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole is Cc1oc(C(C)CCC(C)c2nc(C(C)C)nn2C)nc1C(C)C.
What is the InChIKey of 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole?
The InChIKey is NALGHZUATMAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-11(2)16-15(7)24-19(20-16)14(6)10-9-13(5)18-21-17(12(3)4)22-23(18)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole?
5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole has a molecular weight of 332.49 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexan-2-yl]-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 167209126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).