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

C18H23FN4O2 — CID 95302315

IUPAC(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC(Nc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H23FN4O2/c1-12-11-17(22-25-12)21-18(24)13(2)23-9-7-16(8-10-23)20-15-5-3-14(19)4-6-15/h3-6,11,13,16,20H,7-10H2,1-2H3,(H,21,22,24)/t13-/m0/s1
InChIKeyBFIJPULJWYGHEU-ZDUSSCGKSA-N
MW346.41 g/mol
LogP3.03
Rot. Bonds5

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

(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95302315) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95302315
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCC(Nc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H23FN4O2/c1-12-11-17(22-25-12)21-18(24)13(2)23-9-7-16(8-10-23)20-15-5-3-14(19)4-6-15/h3-6,11,13,16,20H,7-10H2,1-2H3,(H,21,22,24)/t13-/m0/s1
InChIKeyBFIJPULJWYGHEU-ZDUSSCGKSA-N
XLogP3.03
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
CID 46595293
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 55682492
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97004448
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
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95302315) is (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N2CCC(Nc3ccc(F)cc3)CC2)no1.
What is the InChIKey of (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is BFIJPULJWYGHEU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-11-17(22-25-12)21-18(24)13(2)23-9-7-16(8-10-23)20-15-5-3-14(19)4-6-15/h3-6,11,13,16,20H,7-10H2,1-2H3,(H,21,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).