(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid

C14H15BrN2O4 — CID 70228314

IUPAC(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid
SMILESCOc1ccc(Br)c2c1CC1(CC2)COC(NC(=O)O)=N1
InChIInChI=1S/C14H15BrN2O4/c1-20-11-3-2-10(15)8-4-5-14(6-9(8)11)7-21-12(17-14)16-13(18)19/h2-3H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyFDZMKFCFMIBFCD-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.34
Rot. Bonds1

About (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid

(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid (PubChem CID 70228314) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid.

Molecular Properties

Compound Name(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid
PubChem CID70228314
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid
SMILESCOc1ccc(Br)c2c1CC1(CC2)COC(NC(=O)O)=N1
InChIInChI=1S/C14H15BrN2O4/c1-20-11-3-2-10(15)8-4-5-14(6-9(8)11)7-21-12(17-14)16-13(18)19/h2-3H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyFDZMKFCFMIBFCD-UHFFFAOYSA-N
XLogP2.34
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid?
The IUPAC name of (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid (CID 70228314) is (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid.
What is the SMILES notation for (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid?
The canonical SMILES for (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid is COc1ccc(Br)c2c1CC1(CC2)COC(NC(=O)O)=N1.
What is the InChIKey of (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid?
The InChIKey is FDZMKFCFMIBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-20-11-3-2-10(15)8-4-5-14(6-9(8)11)7-21-12(17-14)16-13(18)19/h2-3H,4-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid?
(8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid has a molecular weight of 355.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-yl)carbamic acid is sourced from PubChem (CID 70228314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).