[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid

C15H11BrN2O3 — CID 123178484

IUPAC[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCc1noc(-c2ccc3cc(Br)ccc3c2)c1NC(=O)O
InChIInChI=1S/C15H11BrN2O3/c1-8-13(17-15(19)20)14(21-18-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7,17H,1H3,(H,19,20)
InChIKeyWOHODBBDMIZYBD-UHFFFAOYSA-N
MW347.17 g/mol
LogP4.66
Rot. Bonds2

About [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid

[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid (PubChem CID 123178484) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
PubChem CID123178484
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCc1noc(-c2ccc3cc(Br)ccc3c2)c1NC(=O)O
InChIInChI=1S/C15H11BrN2O3/c1-8-13(17-15(19)20)14(21-18-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7,17H,1H3,(H,19,20)
InChIKeyWOHODBBDMIZYBD-UHFFFAOYSA-N
XLogP4.66
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
[(1R)-1-(4-methoxyphenyl)ethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660602
[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68884953
cyclopropylmethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660573
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
CID 113292820
[3-methyl-5-[4-(2-phenylethylsulfanylmethyl)phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68883689
[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660618
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
2-[4-[4-[4-[2-(3-bromophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 67369291
benzyl N-[3-methyl-5-[6-[2-(1-methylcyclopropyl)ethynyl]naphthalen-2-yl]-1,2-oxazol-4-yl]carbamate
CID 89449041
[3-methyl-5-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68884690
2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447

Frequently Asked Questions

What is the IUPAC name of [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The IUPAC name of [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid (CID 123178484) is [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid.
What is the SMILES notation for [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The canonical SMILES for [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid is Cc1noc(-c2ccc3cc(Br)ccc3c2)c1NC(=O)O.
What is the InChIKey of [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The InChIKey is WOHODBBDMIZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-8-13(17-15(19)20)14(21-18-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7,17H,1H3,(H,19,20).
What are the key properties of [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid has a molecular weight of 347.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid is sourced from PubChem (CID 123178484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).