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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Related Compounds

1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxy-3-methylbenzimidazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
CID 170693388
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-(hydroxymethyl)cyclohexyl]-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 174117972
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
CID 170693376
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
methyl 4-(6-amino-5-morpholin-4-yl-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 155438157
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 24545076
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 78900883
1-[4-[6-amino-5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzoxazol-2-yl]cyclohexyl]ethanone
CID 174117969
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
CID 164566999
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 170238978

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).