4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride

C16H22ClN3O3 — CID 120593061

IUPAC4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11(19-15(20)8-13(9-17)21-2)16-18-10-14(22-16)12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3,(H,19,20);1H
InChIKeyAEMAEDQATBRGTM-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride (PubChem CID 120593061) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride
PubChem CID120593061
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11(19-15(20)8-13(9-17)21-2)16-18-10-14(22-16)12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3,(H,19,20);1H
InChIKeyAEMAEDQATBRGTM-UHFFFAOYSA-N
XLogP2.30
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 119332446
2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
CID 119799043
7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
CID 119799002
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
CID 119799047
4-(methoxymethyl)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120635254
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
CID 99817504
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
ethyl N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 110660779

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride (CID 120593061) is 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride is COC(CN)CC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride?
The InChIKey is AEMAEDQATBRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-11(19-15(20)8-13(9-17)21-2)16-18-10-14(22-16)12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,17H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120593061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).