(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone

C17H17NO2 — CID 116579512

IUPAC(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone
SMILESNC1(C(=O)c2ccc(-c3ccccc3)cc2)CCOC1
InChIInChI=1S/C17H17NO2/c18-17(10-11-20-12-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyHYRCIFQQJXWKMQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.65
Rot. Bonds3

About (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone

(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone (PubChem CID 116579512) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone
PubChem CID116579512
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone
SMILESNC1(C(=O)c2ccc(-c3ccccc3)cc2)CCOC1
InChIInChI=1S/C17H17NO2/c18-17(10-11-20-12-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyHYRCIFQQJXWKMQ-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103869030
1-(4-phenylbenzoyl)cyclopropane-1-carboxylic acid
CID 116920972
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
(3-aminooxolan-3-yl)-(2-phenylcyclopropyl)methanone
CID 116579490
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
CID 116604684
(3S)-3-aminooxolane-3-carboxamide
CID 96640573
(3-aminooxolan-3-yl)-(5-methoxythiophen-2-yl)methanone
CID 130588023
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
1-(3-aminooxolan-3-yl)ethanone
CID 59621130

Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone (CID 116579512) is (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone is NC1(C(=O)c2ccc(-c3ccccc3)cc2)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone?
The InChIKey is HYRCIFQQJXWKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-17(10-11-20-12-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12,18H2.
What are the key properties of (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone?
(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 116579512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).