7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one

C18H15N3O2 — CID 174246211

IUPAC7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
SMILESCC1=CC=C(c2ncoc2-n2ccc3cccnc3c2=O)CC1
InChIInChI=1S/C18H15N3O2/c1-12-4-6-14(7-5-12)16-18(23-11-20-16)21-10-8-13-3-2-9-19-15(13)17(21)22/h2-4,6,8-11H,5,7H2,1H3
InChIKeyAVRUINNSAKFBLM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.50
Rot. Bonds2

About 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one

7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one (PubChem CID 174246211) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
PubChem CID174246211
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
SMILESCC1=CC=C(c2ncoc2-n2ccc3cccnc3c2=O)CC1
InChIInChI=1S/C18H15N3O2/c1-12-4-6-14(7-5-12)16-18(23-11-20-16)21-10-8-13-3-2-9-19-15(13)17(21)22/h2-4,6,8-11H,5,7H2,1H3
InChIKeyAVRUINNSAKFBLM-UHFFFAOYSA-N
XLogP3.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one with MolForge

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Related Compounds

7-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098944
7-iodo-1,7-naphthyridin-8-one
CID 174258978
7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
CID 171099094
7-[5-(4-methylphenyl)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,3-benzoxazol-2-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 174243843
pyrido[1,2-h][1,7]naphthyridin-10-one
CID 139462464
2-methylimidazo[1,2-h][1,7]naphthyridine
CID 67891611
7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one
CID 126837339
2-pyrimidin-2-ylisoquinolin-1-one
CID 132933193
7-methyl-8-nitrosoquinoline
CID 88866337
1,3-oxazole;1,10-phenanthroline;pyrazine
CID 174721121
8-cyclopropylquinoline
CID 66823369
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one (CID 174246211) is 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one is CC1=CC=C(c2ncoc2-n2ccc3cccnc3c2=O)CC1.
What is the InChIKey of 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The InChIKey is AVRUINNSAKFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-4-6-14(7-5-12)16-18(23-11-20-16)21-10-8-13-3-2-9-19-15(13)17(21)22/h2-4,6,8-11H,5,7H2,1H3.
What are the key properties of 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one has a molecular weight of 305.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 174246211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).