2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine

C19H23N5O — CID 167924650

IUPAC2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine
SMILESCC1CCC(Nc2ccc3oc(C4CC4)nc3c2)C(n2cncn2)C1
InChIInChI=1S/C19H23N5O/c1-12-2-6-15(17(8-12)24-11-20-10-21-24)22-14-5-7-18-16(9-14)23-19(25-18)13-3-4-13/h5,7,9-13,15,17,22H,2-4,6,8H2,1H3
InChIKeyUHICBUHZXZBNPM-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.14
Rot. Bonds4

About 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine

2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine (PubChem CID 167924650) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine
PubChem CID167924650
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine
SMILESCC1CCC(Nc2ccc3oc(C4CC4)nc3c2)C(n2cncn2)C1
InChIInChI=1S/C19H23N5O/c1-12-2-6-15(17(8-12)24-11-20-10-21-24)22-14-5-7-18-16(9-14)23-19(25-18)13-3-4-13/h5,7,9-13,15,17,22H,2-4,6,8H2,1H3
InChIKeyUHICBUHZXZBNPM-UHFFFAOYSA-N
XLogP4.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine (CID 167924650) is 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine is CC1CCC(Nc2ccc3oc(C4CC4)nc3c2)C(n2cncn2)C1.
What is the InChIKey of 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine?
The InChIKey is UHICBUHZXZBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-2-6-15(17(8-12)24-11-20-10-21-24)22-14-5-7-18-16(9-14)23-19(25-18)13-3-4-13/h5,7,9-13,15,17,22H,2-4,6,8H2,1H3.
What are the key properties of 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine has a molecular weight of 337.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 167924650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).