2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

C14H16N2O3 — CID 136963436

IUPAC2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(-c2cc(N)on2)c(O)c2c1CCCC2
InChIInChI=1S/C14H16N2O3/c1-18-12-6-10(11-7-13(15)19-16-11)14(17)9-5-3-2-4-8(9)12/h6-7,17H,2-5,15H2,1H3
InChIKeyXSMPRRMCBMQKMJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.52
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 136963436) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID136963436
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(-c2cc(N)on2)c(O)c2c1CCCC2
InChIInChI=1S/C14H16N2O3/c1-18-12-6-10(11-7-13(15)19-16-11)14(17)9-5-3-2-4-8(9)12/h6-7,17H,2-5,15H2,1H3
InChIKeyXSMPRRMCBMQKMJ-UHFFFAOYSA-N
XLogP2.52
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137007240
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine
CID 117472684
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (CID 136963436) is 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is COc1cc(-c2cc(N)on2)c(O)c2c1CCCC2.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XSMPRRMCBMQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-6-10(11-7-13(15)19-16-11)14(17)9-5-3-2-4-8(9)12/h6-7,17H,2-5,15H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 260.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 136963436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).