2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

C20H24N4O2 — CID 42514373

IUPAC2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-13-10-16(23-22-13)12-24(2)20(25)15-8-9-17-18(11-15)26-19(21-17)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,22,23)
InChIKeyXSECLMUPPRQCDV-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.18
Rot. Bonds4

About 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 42514373) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID42514373
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-13-10-16(23-22-13)12-24(2)20(25)15-8-9-17-18(11-15)26-19(21-17)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,22,23)
InChIKeyXSECLMUPPRQCDV-UHFFFAOYSA-N
XLogP4.18
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 42514373) is 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide is Cc1cc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n[nH]1.
What is the InChIKey of 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is XSECLMUPPRQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-10-16(23-22-13)12-24(2)20(25)15-8-9-17-18(11-15)26-19(21-17)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,22,23).
What are the key properties of 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42514373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).