N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide

C17H21FN2O3 — CID 71974092

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2c(C)noc2C)cc1F
InChIInChI=1S/C17H21FN2O3/c1-11-14(12(2)23-20-11)10-19-17(21)6-4-5-13-7-8-16(22-3)15(18)9-13/h7-9H,4-6,10H2,1-3H3,(H,19,21)
InChIKeyKYKVPBCHTMXGSU-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.08
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide (PubChem CID 71974092) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide
PubChem CID71974092
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2c(C)noc2C)cc1F
InChIInChI=1S/C17H21FN2O3/c1-11-14(12(2)23-20-11)10-19-17(21)6-4-5-13-7-8-16(22-3)15(18)9-13/h7-9H,4-6,10H2,1-3H3,(H,19,21)
InChIKeyKYKVPBCHTMXGSU-UHFFFAOYSA-N
XLogP3.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide (CID 71974092) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)NCc2c(C)noc2C)cc1F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide?
The InChIKey is KYKVPBCHTMXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-14(12(2)23-20-11)10-19-17(21)6-4-5-13-7-8-16(22-3)15(18)9-13/h7-9H,4-6,10H2,1-3H3,(H,19,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide has a molecular weight of 320.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)butanamide is sourced from PubChem (CID 71974092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).