phenanthro[9,10-d][1,3]oxazole

C15H9NO — CID 3294335

IUPACphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1c1ocnc21
InChIInChI=1S/C15H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-9H
InChIKeyPLISCLCAPDULCQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP4.13
Rot. Bonds

About phenanthro[9,10-d][1,3]oxazole

phenanthro[9,10-d][1,3]oxazole (PubChem CID 3294335) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is phenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Namephenanthro[9,10-d][1,3]oxazole
PubChem CID3294335
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Namephenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1c1ocnc21
InChIInChI=1S/C15H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-9H
InChIKeyPLISCLCAPDULCQ-UHFFFAOYSA-N
XLogP4.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Naphth[1,2-d]oxazole, 2-methyl-
CID 66555
2-Methylsulfanyl-naphtho[1,2-d]oxazole
CID 741615
2-Methylnaphth(2,1-d)oxazole
CID 88652
Ska-121
CID 91827362
(2-Benzooxazol-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10617854
(2-Benzooxazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10641613
(E)-3-[4-[(E)-1-(1,3-benzoxazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66800384
Homopseudopteroxazole
CID 3003592
2-(2-Chloro-6-fluorophenyl)phenanthro[9,10-d][1,3]oxazole
CID 44457470
Isopseudopteroxazole
CID 56597487
(1S,3aR,4S,6S)-9-[(2S)-butan-2-yl]-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole
CID 56601868
(1S,3aR,4S,6S)-9-benzyl-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole
CID 56602070

Frequently Asked Questions

What is the IUPAC name of phenanthro[9,10-d][1,3]oxazole?
The IUPAC name of phenanthro[9,10-d][1,3]oxazole (CID 3294335) is phenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for phenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for phenanthro[9,10-d][1,3]oxazole is c1ccc2c(c1)c1ccccc1c1ocnc21.
What is the InChIKey of phenanthro[9,10-d][1,3]oxazole?
The InChIKey is PLISCLCAPDULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-9H.
What are the key properties of phenanthro[9,10-d][1,3]oxazole?
phenanthro[9,10-d][1,3]oxazole has a molecular weight of 219.24 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 3294335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).