N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C17H21FN2O3 — CID 97154633

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(CC(C)C)no2)cc1F
InChIInChI=1S/C17H21FN2O3/c1-10(2)7-13-9-16(23-20-13)17(21)19-11(3)12-5-6-15(22-4)14(18)8-12/h5-6,8-11H,7H2,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyJUDCJNLJBOKKKB-LLVKDONJSA-N
MW320.36 g/mol
LogP3.51
Rot. Bonds6

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 97154633) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID97154633
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(CC(C)C)no2)cc1F
InChIInChI=1S/C17H21FN2O3/c1-10(2)7-13-9-16(23-20-13)17(21)19-11(3)12-5-6-15(22-4)14(18)8-12/h5-6,8-11H,7H2,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyJUDCJNLJBOKKKB-LLVKDONJSA-N
XLogP3.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46523496
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 97154633) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(CC(C)C)no2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is JUDCJNLJBOKKKB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-10(2)7-13-9-16(23-20-13)17(21)19-11(3)12-5-6-15(22-4)14(18)8-12/h5-6,8-11H,7H2,1-4H3,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97154633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).