4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine

C11H9N3O3 — CID 146278275

IUPAC4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
SMILESCOc1cc(-c2ncco2)cc2onc(N)c12
InChIInChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14)
InChIKeyUPCUUUGFMRTSCS-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.07
Rot. Bonds2

About 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine

4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine (PubChem CID 146278275) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
PubChem CID146278275
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
SMILESCOc1cc(-c2ncco2)cc2onc(N)c12
InChIInChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14)
InChIKeyUPCUUUGFMRTSCS-UHFFFAOYSA-N
XLogP2.07
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326354
5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine
CID 171469790
5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 19751455
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
3-methoxycarbonyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 21085836
2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-oxazole;palladium
CID 175907595
3-methyl-5-(1,3-oxazol-2-yl)benzamide
CID 142673231
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
6-bromo-4-methyl-1,2-benzoxazol-3-amine
CID 169496974
4-methoxy-6-phenyl-2,1-benzoxazol-3-amine
CID 146278292
2-(2-propan-2-yloxy-4-pyridinyl)-1,3-oxazole
CID 123773885

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine (CID 146278275) is 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine is COc1cc(-c2ncco2)cc2onc(N)c12.
What is the InChIKey of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The InChIKey is UPCUUUGFMRTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14).
What are the key properties of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine has a molecular weight of 231.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 146278275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).