3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one

C19H20N2O3 — CID 27374839

IUPAC3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-10-6-14(7-11-16)12-20(15-8-9-15)13-21-17-4-2-3-5-18(17)24-19(21)22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyPFIPJKMRTSCBHW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.23
Rot. Bonds6

About 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one

3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one (PubChem CID 27374839) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
PubChem CID27374839
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-10-6-14(7-11-16)12-20(15-8-9-15)13-21-17-4-2-3-5-18(17)24-19(21)22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyPFIPJKMRTSCBHW-UHFFFAOYSA-N
XLogP3.23
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 9318182
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9318404
(3aR,7aR)-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9281694
1-benzyl-3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione
CID 9281729
3-[[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9460342
2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9451155
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
CID 60838868
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 40702585
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9281596
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
2-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]butyl]isoindole-1,3-dione
CID 18088542
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one (CID 27374839) is 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one is COc1ccc(CN(Cn2c(=O)oc3ccccc32)C2CC2)cc1.
What is the InChIKey of 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is PFIPJKMRTSCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-10-6-14(7-11-16)12-20(15-8-9-15)13-21-17-4-2-3-5-18(17)24-19(21)22/h2-7,10-11,15H,8-9,12-13H2,1H3.
What are the key properties of 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one?
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 27374839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).