N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C17H14ClN5O4 — CID 67400764

IUPACN-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc3c2OCCO3)c(N)n1
InChIInChI=1S/C17H14ClN5O4/c1-8-11(7-27-23-8)17(24)22-13-6-20-14(16(19)21-13)10-4-9(18)5-12-15(10)26-3-2-25-12/h4-7H,2-3H2,1H3,(H3,19,21,22,24)
InChIKeyPRJKAVTYNGMRED-UHFFFAOYSA-N
MW387.78 g/mol
LogP2.70
Rot. Bonds3

About N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 67400764) has the molecular formula C17H14ClN5O4 and a molecular weight of 387.78 g/mol. Its IUPAC name is N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID67400764
Molecular FormulaC17H14ClN5O4
Molecular Weight387.78 g/mol
Exact Mass387.07
IUPAC NameN-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc3c2OCCO3)c(N)n1
InChIInChI=1S/C17H14ClN5O4/c1-8-11(7-27-23-8)17(24)22-13-6-20-14(16(19)21-13)10-4-9(18)5-12-15(10)26-3-2-25-12/h4-7H,2-3H2,1H3,(H3,19,21,22,24)
InChIKeyPRJKAVTYNGMRED-UHFFFAOYSA-N
XLogP2.70
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111478
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155703
N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111296
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 141056369
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 90396544
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 67400764) is N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc3c2OCCO3)c(N)n1.
What is the InChIKey of N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PRJKAVTYNGMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O4/c1-8-11(7-27-23-8)17(24)22-13-6-20-14(16(19)21-13)10-4-9(18)5-12-15(10)26-3-2-25-12/h4-7H,2-3H2,1H3,(H3,19,21,22,24).
What are the key properties of N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 387.78 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 67400764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).