N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C19H18FN5O3 — CID 67205583

IUPACN-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESNc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccno2)cn1
InChIInChI=1S/C19H18FN5O3/c20-14-4-1-12(2-5-14)9-15(25-19(27)16-7-8-24-28-16)18(26)23-11-13-3-6-17(21)22-10-13/h1-8,10,15H,9,11H2,(H2,21,22)(H,23,26)(H,25,27)/t15-/m0/s1
InChIKeyFWEDNXDJSZOLKT-HNNXBMFYSA-N
MW383.38 g/mol
LogP1.45
Rot. Bonds7

About N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 67205583) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID67205583
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESNc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccno2)cn1
InChIInChI=1S/C19H18FN5O3/c20-14-4-1-12(2-5-14)9-15(25-19(27)16-7-8-24-28-16)18(26)23-11-13-3-6-17(21)22-10-13/h1-8,10,15H,9,11H2,(H2,21,22)(H,23,26)(H,25,27)/t15-/m0/s1
InChIKeyFWEDNXDJSZOLKT-HNNXBMFYSA-N
XLogP1.45
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 67205583) is N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccno2)cn1.
What is the InChIKey of N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is FWEDNXDJSZOLKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c20-14-4-1-12(2-5-14)9-15(25-19(27)16-7-8-24-28-16)18(26)23-11-13-3-6-17(21)22-10-13/h1-8,10,15H,9,11H2,(H2,21,22)(H,23,26)(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).