4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine

C11H10N2O — CID 170794640

IUPAC4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine
SMILESNc1nc2c(o1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2O/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyGQBLJRKSECTQGD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.02
Rot. Bonds

About 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine

4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine (PubChem CID 170794640) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine
PubChem CID170794640
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine
SMILESNc1nc2c(o1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2O/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyGQBLJRKSECTQGD-UHFFFAOYSA-N
XLogP2.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydrobenzo[e][1,2]benzoxazole
CID 84654087
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
5,6-dihydrobenzo[c]acridine
CID 1482217
2-azapentacyclo[13.9.0.03,13.04,9.019,24]tetracosa-1,3(13),4,6,8,14,19,21,23-nonaene
CID 162691751
14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
CID 134093989
9,10-dihydrophenanthrene;ethane
CID 143759681
3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
CID 142710262
ethane;4-methyl-5,6-dihydrobenzo[h]quinazolin-2-amine;propane
CID 159745958
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine?
The IUPAC name of 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine (CID 170794640) is 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine.
What is the SMILES notation for 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine?
The canonical SMILES for 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine is Nc1nc2c(o1)CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine?
The InChIKey is GQBLJRKSECTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13).
What are the key properties of 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine?
4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine has a molecular weight of 186.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine is sourced from PubChem (CID 170794640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).