N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H17N7O3 — CID 166108709

IUPACN-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnc(N)cn2)cnc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17N7O3/c1-11-16(17(27-30-11)12-6-4-3-5-7-12)19(28)26-18-20(29-2)25-14(9-24-18)13-8-23-15(21)10-22-13/h3-10H,1-2H3,(H2,21,23)(H,24,26,28)
InChIKeyIBWVCVCMEZLGIM-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.74
Rot. Bonds5

About N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108709) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108709
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC NameN-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cnc(N)cn2)cnc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17N7O3/c1-11-16(17(27-30-11)12-6-4-3-5-7-12)19(28)26-18-20(29-2)25-14(9-24-18)13-8-23-15(21)10-22-13/h3-10H,1-2H3,(H2,21,23)(H,24,26,28)
InChIKeyIBWVCVCMEZLGIM-UHFFFAOYSA-N
XLogP2.74
TPSA141.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-(6-aminopyridazin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108868
N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108653
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108925
N-[2-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108810
N-[2-methoxy-6-[6-(methylaminomethyl)-3-pyridinyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108874
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167182443
N-[6-[5-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108814
N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108578

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108709) is N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cnc(N)cn2)cnc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is IBWVCVCMEZLGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-11-16(17(27-30-11)12-6-4-3-5-7-12)19(28)26-18-20(29-2)25-14(9-24-18)13-8-23-15(21)10-22-13/h3-10H,1-2H3,(H2,21,23)(H,24,26,28).
What are the key properties of N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-aminopyrazin-2-yl)-3-methoxypyrazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).