N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C18H23FN4O2 — CID 71990030

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cc1cccc(F)c1)NC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H23FN4O2/c1-14(11-15-3-2-4-16(19)12-15)20-18(24)23-8-6-22(7-9-23)13-17-5-10-25-21-17/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,20,24)
InChIKeyOROUHXZBOPZENA-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71990030) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71990030
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cc1cccc(F)c1)NC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H23FN4O2/c1-14(11-15-3-2-4-16(19)12-15)20-18(24)23-8-6-22(7-9-23)13-17-5-10-25-21-17/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,20,24)
InChIKeyOROUHXZBOPZENA-UHFFFAOYSA-N
XLogP2.27
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]amino]heptanoic acid
CID 126444711
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442
N-butan-2-yl-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19574348
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95607196
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
CID 86953536

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71990030) is N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CC(Cc1cccc(F)c1)NC(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OROUHXZBOPZENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-14(11-15-3-2-4-16(19)12-15)20-18(24)23-8-6-22(7-9-23)13-17-5-10-25-21-17/h2-5,10,12,14H,6-9,11,13H2,1H3,(H,20,24).
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71990030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).