(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C18H23FN4O2 — CID 30720422

IUPAC(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccccc3F)CC2)on1
InChIInChI=1S/C18H23FN4O2/c1-13-11-17(25-21-13)20-18(24)14(2)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZPJRLUFIOODDLC-AWEZNQCLSA-N
MW346.41 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 30720422) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID30720422
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccccc3F)CC2)on1
InChIInChI=1S/C18H23FN4O2/c1-13-11-17(25-21-13)20-18(24)14(2)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyZPJRLUFIOODDLC-AWEZNQCLSA-N
XLogP2.27
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

(2R)-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95148704
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 24616750
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46406423
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 30720422) is (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3ccccc3F)CC2)on1.
What is the InChIKey of (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is ZPJRLUFIOODDLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-11-17(25-21-13)20-18(24)14(2)23-9-7-22(8-10-23)12-15-5-3-4-6-16(15)19/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 30720422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).