4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide

C18H19N3O3 — CID 90286292

IUPAC4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
SMILESNCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C18H19N3O3/c19-10-14-9-15(24-21-14)11-23-17-4-2-1-3-16(17)12-5-7-13(8-6-12)18(20)22/h1-8,15H,9-11,19H2,(H2,20,22)
InChIKeyDLAWKTXHVVEMNR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds6

About 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide

4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide (PubChem CID 90286292) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
PubChem CID90286292
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
SMILESNCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C18H19N3O3/c19-10-14-9-15(24-21-14)11-23-17-4-2-1-3-16(17)12-5-7-13(8-6-12)18(20)22/h1-8,15H,9-11,19H2,(H2,20,22)
InChIKeyDLAWKTXHVVEMNR-UHFFFAOYSA-N
XLogP1.93
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292947
[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 90285357
[5-[[2-(2-fluoro-3-pyridinyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
CID 90286757
tert-butyl-[[(5R)-5-[[2-(4-fluorophenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamic acid
CID 90285568
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 76902175
1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76900484
4-(2-nonoxyphenyl)benzamide
CID 67822371
[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
CID 90286285
1-(5-methyl-1,3-thiazol-2-yl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76901039
1-(6-cyano-3-pyridinyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76901035
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4,6,7,7a-tetrahydro-2H-thieno[3,2-c]pyridine-5-carboxamide
CID 175753842
[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 118679340

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide (CID 90286292) is 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide is NCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide?
The InChIKey is DLAWKTXHVVEMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-10-14-9-15(24-21-14)11-23-17-4-2-1-3-16(17)12-5-7-13(8-6-12)18(20)22/h1-8,15H,9-11,19H2,(H2,20,22).
What are the key properties of 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide?
4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 90286292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).