N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C10H7ClN6O2 — CID 114052490

IUPACN-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN6O2/c1-4-5(2-14-19-4)9(18)17-10-15-7(11)6-8(16-10)13-3-12-6/h2-3H,1H3,(H2,12,13,15,16,17,18)
InChIKeyRRZABUUFLVDMEH-UHFFFAOYSA-N
MW278.66 g/mol
LogP1.56
Rot. Bonds2

About N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 114052490) has the molecular formula C10H7ClN6O2 and a molecular weight of 278.66 g/mol. Its IUPAC name is N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID114052490
Molecular FormulaC10H7ClN6O2
Molecular Weight278.66 g/mol
Exact Mass278.03
IUPAC NameN-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H7ClN6O2/c1-4-5(2-14-19-4)9(18)17-10-15-7(11)6-8(16-10)13-3-12-6/h2-3H,1H3,(H2,12,13,15,16,17,18)
InChIKeyRRZABUUFLVDMEH-UHFFFAOYSA-N
XLogP1.56
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 114052490) is N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RRZABUUFLVDMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O2/c1-4-5(2-14-19-4)9(18)17-10-15-7(11)6-8(16-10)13-3-12-6/h2-3H,1H3,(H2,12,13,15,16,17,18).
What are the key properties of N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 278.66 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114052490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).