(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone

C16H10N2O3 — CID 87092127

IUPAC(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=Nc1c(C(=O)c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C16H10N2O3/c19-15(11-7-3-1-4-8-11)13-14(17-20)16(21-18-13)12-9-5-2-6-10-12/h1-10H
InChIKeyHFYPALWIJYXQFK-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.97
Rot. Bonds4

About (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone

(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone (PubChem CID 87092127) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
PubChem CID87092127
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=Nc1c(C(=O)c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C16H10N2O3/c19-15(11-7-3-1-4-8-11)13-14(17-20)16(21-18-13)12-9-5-2-6-10-12/h1-10H
InChIKeyHFYPALWIJYXQFK-UHFFFAOYSA-N
XLogP3.97
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
CID 89063636
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
5-phenyl-4-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 67455256
diphenylmethanone
CID 3102
4-isocyanato-3-methyl-5-phenyl-1,2-oxazole
CID 2776517
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-(benzenesulfonyl)-5-(furan-2-yl)-1,2-oxazol-3-yl]-phenylmethanone
CID 5228759
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
[4-(benzenesulfonyl)-5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-bromophenyl)methanone
CID 2753589
[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone
CID 102455348

Frequently Asked Questions

What is the IUPAC name of (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The IUPAC name of (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone (CID 87092127) is (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone is O=Nc1c(C(=O)c2ccccc2)noc1-c1ccccc1.
What is the InChIKey of (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
The InChIKey is HFYPALWIJYXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-15(11-7-3-1-4-8-11)13-14(17-20)16(21-18-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone?
(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone has a molecular weight of 278.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone is sourced from PubChem (CID 87092127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).