2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide

C19H18ClN3O3 — CID 143030396

IUPAC2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide
SMILESNC(=O)C(N)Cc1ccc(OCc2cc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(9-14)18-10-16(26-23-18)11-25-15-6-4-12(5-7-15)8-17(21)19(22)24/h1-7,9-10,17H,8,11,21H2,(H2,22,24)
InChIKeyCHPLOMIRUCUYEL-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.93
Rot. Bonds7

About 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide

2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide (PubChem CID 143030396) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide
PubChem CID143030396
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide
SMILESNC(=O)C(N)Cc1ccc(OCc2cc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(9-14)18-10-16(26-23-18)11-25-15-6-4-12(5-7-15)8-17(21)19(22)24/h1-7,9-10,17H,8,11,21H2,(H2,22,24)
InChIKeyCHPLOMIRUCUYEL-UHFFFAOYSA-N
XLogP2.93
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]-2-(iodoamino)propanamide
CID 153178437
6-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]chromen-2-one
CID 118709877
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
CID 154895539
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
(2S)-2-amino-3-(4-trimethylsilyloxyphenyl)propanamide
CID 167723544
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
CID 59607810
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
3-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69197842

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide?
The IUPAC name of 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide (CID 143030396) is 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide?
The canonical SMILES for 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide is NC(=O)C(N)Cc1ccc(OCc2cc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide?
The InChIKey is CHPLOMIRUCUYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(9-14)18-10-16(26-23-18)11-25-15-6-4-12(5-7-15)8-17(21)19(22)24/h1-7,9-10,17H,8,11,21H2,(H2,22,24).
What are the key properties of 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide?
2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide has a molecular weight of 371.82 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide is sourced from PubChem (CID 143030396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).