3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one

C17H16ClF2N3O3 — CID 155386786

IUPAC3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESCc1ncc(-c2ccc(Cl)c(OC(F)F)c2)nc1CN1CCCOC1=O
InChIInChI=1S/C17H16ClF2N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h3-4,7-8,16H,2,5-6,9H2,1H3
InChIKeyPXZWRQUMIVVXJV-UHFFFAOYSA-N
MW383.78 g/mol
LogP4.05
Rot. Bonds5

About 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one

3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 155386786) has the molecular formula C17H16ClF2N3O3 and a molecular weight of 383.78 g/mol. Its IUPAC name is 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
PubChem CID155386786
Molecular FormulaC17H16ClF2N3O3
Molecular Weight383.78 g/mol
Exact Mass383.08
IUPAC Name3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
SMILESCc1ncc(-c2ccc(Cl)c(OC(F)F)c2)nc1CN1CCCOC1=O
InChIInChI=1S/C17H16ClF2N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h3-4,7-8,16H,2,5-6,9H2,1H3
InChIKeyPXZWRQUMIVVXJV-UHFFFAOYSA-N
XLogP4.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 155386753
CID 155386753
CID 155386755
CID 155386755
CID 155386756
CID 155386756
CID 155386758
CID 155386758
CID 155386769
CID 155386769
CID 155386771
CID 155386771
CID 155386775
CID 155386775
CID 155386779
CID 155386779
CID 155386780
CID 155386780
CID 155386781
CID 155386781
CID 155386784
CID 155386784
CID 155386789
CID 155386789

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one (CID 155386786) is 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one is Cc1ncc(-c2ccc(Cl)c(OC(F)F)c2)nc1CN1CCCOC1=O.
What is the InChIKey of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is PXZWRQUMIVVXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O3/c1-10-14(9-23-5-2-6-25-17(23)24)22-13(8-21-10)11-3-4-12(18)15(7-11)26-16(19)20/h3-4,7-8,16H,2,5-6,9H2,1H3.
What are the key properties of 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one?
3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 383.78 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 155386786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).