3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride

C15H19ClN2O4 — CID 119911544

IUPAC3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
SMILESCOc1ccc(-c2cnc(CN(C)CCC(=O)O)o2)cc1.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-17(8-7-15(18)19)10-14-16-9-13(21-14)11-3-5-12(20-2)6-4-11;/h3-6,9H,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyYRZWRFWYKRSNKG-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.68
Rot. Bonds7

About 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride

3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride (PubChem CID 119911544) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
PubChem CID119911544
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
SMILESCOc1ccc(-c2cnc(CN(C)CCC(=O)O)o2)cc1.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-17(8-7-15(18)19)10-14-16-9-13(21-14)11-3-5-12(20-2)6-4-11;/h3-6,9H,7-8,10H2,1-2H3,(H,18,19);1H
InChIKeyYRZWRFWYKRSNKG-UHFFFAOYSA-N
XLogP2.68
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
CID 61010033
3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
3-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid
CID 119911967
1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
CID 48632325
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
1-(2-chloro-5-nitrophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
CID 48631870
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 95047586

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride (CID 119911544) is 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride is COc1ccc(-c2cnc(CN(C)CCC(=O)O)o2)cc1.Cl.
What is the InChIKey of 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride?
The InChIKey is YRZWRFWYKRSNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.ClH/c1-17(8-7-15(18)19)10-14-16-9-13(21-14)11-3-5-12(20-2)6-4-11;/h3-6,9H,7-8,10H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride?
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119911544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).