N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H17FN2O3 — CID 110607555

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c1-9(2)15-14(10(3)19-22-15)16(21)18-8-13(20)11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyHLQRFMIKTXKMBU-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110607555) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110607555
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c1-9(2)15-14(10(3)19-22-15)16(21)18-8-13(20)11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyHLQRFMIKTXKMBU-UHFFFAOYSA-N
XLogP2.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
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3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
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N'-[4-(diethylamino)benzoyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 9271390
N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606105
2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 66173602
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110607555) is N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is HLQRFMIKTXKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9(2)15-14(10(3)19-22-15)16(21)18-8-13(20)11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110607555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).