N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide

C16H12N8O3 — CID 176858918

IUPACN-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESCOc1ccnc(-c2coc(NC(=O)c3cnnn3-c3cncnc3)n2)c1
InChIInChI=1S/C16H12N8O3/c1-26-11-2-3-19-12(4-11)13-8-27-16(21-13)22-15(25)14-7-20-23-24(14)10-5-17-9-18-6-10/h2-9H,1H3,(H,21,22,25)
InChIKeyAPHSVCIVVYVDQY-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.37
Rot. Bonds5

About N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide

N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide (PubChem CID 176858918) has the molecular formula C16H12N8O3 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
PubChem CID176858918
Molecular FormulaC16H12N8O3
Molecular Weight364.33 g/mol
Exact Mass364.10
IUPAC NameN-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESCOc1ccnc(-c2coc(NC(=O)c3cnnn3-c3cncnc3)n2)c1
InChIInChI=1S/C16H12N8O3/c1-26-11-2-3-19-12(4-11)13-8-27-16(21-13)22-15(25)14-7-20-23-24(14)10-5-17-9-18-6-10/h2-9H,1H3,(H,21,22,25)
InChIKeyAPHSVCIVVYVDQY-UHFFFAOYSA-N
XLogP1.37
TPSA133.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-ethyl-4-(4-fluorophenyl)-N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859205
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858944
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
3-pyrimidin-4-yltriazole-4-carboxylic acid
CID 96624805
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
3-(3-ethoxyphenyl)triazole-4-carboxylic acid
CID 54967751
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide (CID 176858918) is N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide is COc1ccnc(-c2coc(NC(=O)c3cnnn3-c3cncnc3)n2)c1.
What is the InChIKey of N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The InChIKey is APHSVCIVVYVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O3/c1-26-11-2-3-19-12(4-11)13-8-27-16(21-13)22-15(25)14-7-20-23-24(14)10-5-17-9-18-6-10/h2-9H,1H3,(H,21,22,25).
What are the key properties of N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 176858918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).