N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

C12H11N3O3 — CID 91510841

IUPACN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
SMILESO=C(Nc1ncco1)c1ccc2c(c1)NCCO2
InChIInChI=1S/C12H11N3O3/c16-11(15-12-14-4-6-18-12)8-1-2-10-9(7-8)13-3-5-17-10/h1-2,4,6-7,13H,3,5H2,(H,14,15,16)
InChIKeyYHESSEPPYYCJCU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.73
Rot. Bonds2

About N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (PubChem CID 91510841) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
PubChem CID91510841
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
SMILESO=C(Nc1ncco1)c1ccc2c(c1)NCCO2
InChIInChI=1S/C12H11N3O3/c16-11(15-12-14-4-6-18-12)8-1-2-10-9(7-8)13-3-5-17-10/h1-2,4,6-7,13H,3,5H2,(H,14,15,16)
InChIKeyYHESSEPPYYCJCU-UHFFFAOYSA-N
XLogP1.73
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (CID 91510841) is N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide is O=C(Nc1ncco1)c1ccc2c(c1)NCCO2.
What is the InChIKey of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The InChIKey is YHESSEPPYYCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11(15-12-14-4-6-18-12)8-1-2-10-9(7-8)13-3-5-17-10/h1-2,4,6-7,13H,3,5H2,(H,14,15,16).
What are the key properties of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 91510841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).