2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide

C14H16FN3O3 — CID 3789916

IUPAC2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCCc2cccc(F)c2)co1
InChIInChI=1S/C14H16FN3O3/c15-10-3-1-2-9(6-10)4-5-17-13(20)12-8-21-14(18-12)11(16)7-19/h1-3,6,8,11,19H,4-5,7,16H2,(H,17,20)
InChIKeyLQWISQKFVOBWFJ-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.78
Rot. Bonds6

About 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3789916) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3789916
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCCc2cccc(F)c2)co1
InChIInChI=1S/C14H16FN3O3/c15-10-3-1-2-9(6-10)4-5-17-13(20)12-8-21-14(18-12)11(16)7-19/h1-3,6,8,11,19H,4-5,7,16H2,(H,17,20)
InChIKeyLQWISQKFVOBWFJ-UHFFFAOYSA-N
XLogP0.78
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3704491
2-(1-amino-2-hydroxyethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3789915
2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3801530
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-(1-amino-2-hydroxyethyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3695546
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3789916) is 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide is NC(CO)c1nc(C(=O)NCCc2cccc(F)c2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LQWISQKFVOBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-10-3-1-2-9(6-10)4-5-17-13(20)12-8-21-14(18-12)11(16)7-19/h1-3,6,8,11,19H,4-5,7,16H2,(H,17,20).
What are the key properties of 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3789916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).