3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine

C15H17ClN2O2 — CID 117472684

IUPAC3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc2c(c1Cl)CCCCC2
InChIInChI=1S/C15H17ClN2O2/c1-19-15-11(12-8-13(17)20-18-12)7-9-5-3-2-4-6-10(9)14(15)16/h7-8H,2-6,17H2,1H3
InChIKeyRWQZVZXOLZAZHS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.85
Rot. Bonds2

About 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine

3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine (PubChem CID 117472684) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine
PubChem CID117472684
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc2c(c1Cl)CCCCC2
InChIInChI=1S/C15H17ClN2O2/c1-19-15-11(12-8-13(17)20-18-12)7-9-5-3-2-4-6-10(9)14(15)16/h7-8H,2-6,17H2,1H3
InChIKeyRWQZVZXOLZAZHS-UHFFFAOYSA-N
XLogP3.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine (CID 117472684) is 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine is COc1c(-c2cc(N)on2)cc2c(c1Cl)CCCCC2.
What is the InChIKey of 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is RWQZVZXOLZAZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-19-15-11(12-8-13(17)20-18-12)7-9-5-3-2-4-6-10(9)14(15)16/h7-8H,2-6,17H2,1H3.
What are the key properties of 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine?
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 292.77 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117472684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).