5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide

C18H17FN4O2 — CID 176672814

IUPAC5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C18H17FN4O2/c19-14-8-12(9-21-10-14)2-1-7-22-18(24)16-17(25-11-23-16)13-3-5-15(20)6-4-13/h3-6,8-11H,1-2,7,20H2,(H,22,24)
InChIKeyHAQCPLBKOLORTN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.82
Rot. Bonds6

About 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide

5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 176672814) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID176672814
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1
InChIInChI=1S/C18H17FN4O2/c19-14-8-12(9-21-10-14)2-1-7-22-18(24)16-17(25-11-23-16)13-3-5-15(20)6-4-13/h3-6,8-11H,1-2,7,20H2,(H,22,24)
InChIKeyHAQCPLBKOLORTN-UHFFFAOYSA-N
XLogP2.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901446
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901447
5-(4-Methoxyphenyl)-N-(Pyridin-4-Ylmethyl)-1,3-Oxazole-4-Carboxamide
CID 56643097
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
5-(2-Fluoro-phenyl)-oxazole-4-carboxylic acid indan-5-ylamide
CID 6489702
(E)-N-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-pyridin-4-yl-acrylamide
CID 10358687
(E)-7-{4-[4-(3-Cyclohexyloxy-propylcarbamoyl)-oxazol-2-yl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
CID 10554249
(E)-7-[4-(4-Phenethylcarbamoyl-oxazol-2-yl)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid
CID 10720045
(E)-7-{4-[4-(2-Cyclohexyloxy-ethylcarbamoyl)-oxazol-2-yl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
CID 10768214

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide (CID 176672814) is 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is Nc1ccc(-c2ocnc2C(=O)NCCCc2cncc(F)c2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HAQCPLBKOLORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-8-12(9-21-10-14)2-1-7-22-18(24)16-17(25-11-23-16)13-3-5-15(20)6-4-13/h3-6,8-11H,1-2,7,20H2,(H,22,24).
What are the key properties of 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide?
5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176672814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).