N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide

C18H14FN3O5S — CID 166755232

IUPACN-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOc3cc(F)ccc32)c1)c1ncco1
InChIInChI=1S/C18H14FN3O5S/c19-12-4-5-15-16(10-12)26-9-7-22(15)28(24,25)14-3-1-2-13(11-14)21-17(23)18-20-6-8-27-18/h1-6,8,10-11H,7,9H2,(H,21,23)
InChIKeySKOIIEONBQCMSA-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.65
Rot. Bonds4

About N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide

N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 166755232) has the molecular formula C18H14FN3O5S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID166755232
Molecular FormulaC18H14FN3O5S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC NameN-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOc3cc(F)ccc32)c1)c1ncco1
InChIInChI=1S/C18H14FN3O5S/c19-12-4-5-15-16(10-12)26-9-7-22(15)28(24,25)14-3-1-2-13(11-14)21-17(23)18-20-6-8-27-18/h1-6,8,10-11H,7,9H2,(H,21,23)
InChIKeySKOIIEONBQCMSA-UHFFFAOYSA-N
XLogP2.65
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide (CID 166755232) is N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOc3cc(F)ccc32)c1)c1ncco1.
What is the InChIKey of N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is SKOIIEONBQCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5S/c19-12-4-5-15-16(10-12)26-9-7-22(15)28(24,25)14-3-1-2-13(11-14)21-17(23)18-20-6-8-27-18/h1-6,8,10-11H,7,9H2,(H,21,23).
What are the key properties of N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide?
N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).