7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one

C19H15FN4O3 — CID 90409156

IUPAC7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(CF)c1-c1ccc2[nH]c(=O)n3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H15FN4O3/c1-10-16(15(8-20)27-23-10)11-5-6-13-17-18(11)26-9-14(24(17)19(25)22-13)12-4-2-3-7-21-12/h2-7,14H,8-9H2,1H3,(H,22,25)
InChIKeyVLFIKXXQKYTPRI-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.14
Rot. Bonds3

About 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one

7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (PubChem CID 90409156) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one.

Molecular Properties

Compound Name7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
PubChem CID90409156
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
SMILESCc1noc(CF)c1-c1ccc2[nH]c(=O)n3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H15FN4O3/c1-10-16(15(8-20)27-23-10)11-5-6-13-17-18(11)26-9-14(24(17)19(25)22-13)12-4-2-3-7-21-12/h2-7,14H,8-9H2,1H3,(H,22,25)
InChIKeyVLFIKXXQKYTPRI-UHFFFAOYSA-N
XLogP3.14
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The IUPAC name of 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one (CID 90409156) is 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one.
What is the SMILES notation for 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The canonical SMILES for 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is Cc1noc(CF)c1-c1ccc2[nH]c(=O)n3c2c1OCC3c1ccccn1.
What is the InChIKey of 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
The InChIKey is VLFIKXXQKYTPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-10-16(15(8-20)27-23-10)11-5-6-13-17-18(11)26-9-14(24(17)19(25)22-13)12-4-2-3-7-21-12/h2-7,14H,8-9H2,1H3,(H,22,25).
What are the key properties of 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one?
7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one has a molecular weight of 366.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(fluoromethyl)-3-methyl-1,2-oxazol-4-yl]-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one is sourced from PubChem (CID 90409156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).