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

C15H19FN2O2 — CID 155958112

IUPACN-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-9(2)13-8-14(20-18-13)15(19)17-10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19)
InChIKeyCBOSXRQXQSAHSU-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.80
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155958112) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155958112
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-9(2)13-8-14(20-18-13)15(19)17-10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19)
InChIKeyCBOSXRQXQSAHSU-UHFFFAOYSA-N
XLogP2.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155958112) is N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)NC(C)c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CBOSXRQXQSAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)13-8-14(20-18-13)15(19)17-10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155958112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).