14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C25H14N2O2 — CID 118502678

IUPAC14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2oc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2O2/c1-4-10-18-15(7-1)23-19(27(18)25-26-17-9-3-6-12-21(17)29-25)13-14-22-24(23)16-8-2-5-11-20(16)28-22/h1-14H
InChIKeyPNFXSDPZTGIVAU-UHFFFAOYSA-N
MW374.40 g/mol
LogP6.82
Rot. Bonds1

About 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 118502678) has the molecular formula C25H14N2O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID118502678
Molecular FormulaC25H14N2O2
Molecular Weight374.40 g/mol
Exact Mass374.11
IUPAC Name14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2oc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc2c1
InChIInChI=1S/C25H14N2O2/c1-4-10-18-15(7-1)23-19(27(18)25-26-17-9-3-6-12-21(17)29-25)13-14-22-24(23)16-8-2-5-11-20(16)28-22/h1-14H
InChIKeyPNFXSDPZTGIVAU-UHFFFAOYSA-N
XLogP6.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
14-(1,3,5-triazin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502661
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 139422404
1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione
CID 175983951
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
14-(2,3-diphenylquinoxalin-6-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 154952586
12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 147983982
14-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138569005
15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
15-methyl-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 148942813

Frequently Asked Questions

What is the IUPAC name of 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 118502678) is 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2oc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc2c1.
What is the InChIKey of 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is PNFXSDPZTGIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O2/c1-4-10-18-15(7-1)23-19(27(18)25-26-17-9-3-6-12-21(17)29-25)13-14-22-24(23)16-8-2-5-11-20(16)28-22/h1-14H.
What are the key properties of 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 374.40 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 118502678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).