1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide

C20H24N4O4 — CID 175847369

IUPAC1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(CO)CC3)oc2cc1N1C=CN=CC1C(N)=O
InChIInChI=1S/C20H24N4O4/c1-27-18-8-14-17(9-15(18)24-7-6-22-10-16(24)19(21)26)28-20(23-14)13-4-2-12(11-25)3-5-13/h6-10,12-13,16,25H,2-5,11H2,1H3,(H2,21,26)
InChIKeyKMCPUVMQFNQBMO-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide

1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide (PubChem CID 175847369) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide
PubChem CID175847369
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(CO)CC3)oc2cc1N1C=CN=CC1C(N)=O
InChIInChI=1S/C20H24N4O4/c1-27-18-8-14-17(9-15(18)24-7-6-22-10-16(24)19(21)26)28-20(23-14)13-4-2-12(11-25)3-5-13/h6-10,12-13,16,25H,2-5,11H2,1H3,(H2,21,26)
InChIKeyKMCPUVMQFNQBMO-UHFFFAOYSA-N
XLogP2.32
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide?
The IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide (CID 175847369) is 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide is COc1cc2nc(C3CCC(CO)CC3)oc2cc1N1C=CN=CC1C(N)=O.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide?
The InChIKey is KMCPUVMQFNQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-27-18-8-14-17(9-15(18)24-7-6-22-10-16(24)19(21)26)28-20(23-14)13-4-2-12(11-25)3-5-13/h6-10,12-13,16,25H,2-5,11H2,1H3,(H2,21,26).
What are the key properties of 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide?
1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 175847369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).