2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide

C15H18ClN3O3 — CID 120992190

IUPAC2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClN3O3/c1-9-14(10-3-5-11(16)6-4-10)22-13(19-9)7-18-15(20)12(17)8-21-2/h3-6,12H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyATFCAZRSSNMZEF-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide

2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide (PubChem CID 120992190) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide
PubChem CID120992190
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClN3O3/c1-9-14(10-3-5-11(16)6-4-10)22-13(19-9)7-18-15(20)12(17)8-21-2/h3-6,12H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyATFCAZRSSNMZEF-UHFFFAOYSA-N
XLogP1.89
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
CID 119815783
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987230
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide
CID 120993695
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991561
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide
CID 120991562
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide (CID 120992190) is 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide?
The InChIKey is ATFCAZRSSNMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9-14(10-3-5-11(16)6-4-10)22-13(19-9)7-18-15(20)12(17)8-21-2/h3-6,12H,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide?
2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide has a molecular weight of 323.78 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 120992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).