2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C13H8ClNO2 — CID 167454429

IUPAC2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESClc1nc2c(o1)C=CC1Oc3ccccc3C21
InChIInChI=1S/C13H8ClNO2/c14-13-15-12-10(17-13)6-5-9-11(12)7-3-1-2-4-8(7)16-9/h1-6,9,11H
InChIKeyVNZJPXNBDWPTSR-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.25
Rot. Bonds

About 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167454429) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167454429
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESClc1nc2c(o1)C=CC1Oc3ccccc3C21
InChIInChI=1S/C13H8ClNO2/c14-13-15-12-10(17-13)6-5-9-11(12)7-3-1-2-4-8(7)16-9/h1-6,9,11H
InChIKeyVNZJPXNBDWPTSR-UHFFFAOYSA-N
XLogP3.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-4a,9b-dihydrodibenzofuran-1-amine
CID 164737748
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),3,5,7,11,13,15(23),17,19,21-decaene
CID 145276954
15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
CID 168834148
3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),5,7,9,11,15,19,21,23,25-undecaene
CID 66664615
3-ethyl-4a,9b-dihydrodibenzofuran
CID 142358862
(3aR,9R,9aR)-9-(4-fluorophenyl)-1,3a,9,9a-tetrahydrocyclopenta[b]chromene
CID 132849770
2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 166845890
2-dibenzothiophen-3-yl-4-(2-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170423969
1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one
CID 10702758
6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
CID 70923610
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167454429) is 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is Clc1nc2c(o1)C=CC1Oc3ccccc3C21.
What is the InChIKey of 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is VNZJPXNBDWPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-13-15-12-10(17-13)6-5-9-11(12)7-3-1-2-4-8(7)16-9/h1-6,9,11H.
What are the key properties of 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 245.67 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5a,10b-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167454429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).