4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole

C16H10ClN5O — CID 169216446

IUPAC4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole
SMILESClc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnoc3)ncn1-2
InChIInChI=1S/C16H10ClN5O/c17-11-1-2-13-12(4-11)15-9(5-19-21-15)3-14-16(18-8-22(13)14)10-6-20-23-7-10/h1-2,4-8H,3H2,(H,19,21)
InChIKeyIDTYBRMTOAHTOM-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.47
Rot. Bonds1

About 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole

4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole (PubChem CID 169216446) has the molecular formula C16H10ClN5O and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole
PubChem CID169216446
Molecular FormulaC16H10ClN5O
Molecular Weight323.74 g/mol
Exact Mass323.06
IUPAC Name4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole
SMILESClc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnoc3)ncn1-2
InChIInChI=1S/C16H10ClN5O/c17-11-1-2-13-12(4-11)15-9(5-19-21-15)3-14-16(18-8-22(13)14)10-6-20-23-7-10/h1-2,4-8H,3H2,(H,19,21)
InChIKeyIDTYBRMTOAHTOM-UHFFFAOYSA-N
XLogP3.47
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole?
The IUPAC name of 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole (CID 169216446) is 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole.
What is the SMILES notation for 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole?
The canonical SMILES for 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole is Clc1ccc2c(c1)-c1[nH]ncc1Cc1c(-c3cnoc3)ncn1-2.
What is the InChIKey of 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole?
The InChIKey is IDTYBRMTOAHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O/c17-11-1-2-13-12(4-11)15-9(5-19-21-15)3-14-16(18-8-22(13)14)10-6-20-23-7-10/h1-2,4-8H,3H2,(H,19,21).
What are the key properties of 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole?
4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole has a molecular weight of 323.74 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(15-chloro-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-1,2-oxazole is sourced from PubChem (CID 169216446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).