2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide

C22H19FN4O2 — CID 18458266

IUPAC2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
SMILESNC(CCc1ccc(F)cc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1
InChIInChI=1S/C22H19FN4O2/c23-16-8-5-14(6-9-16)7-10-18(24)22-27-20(13-29-22)21(28)26-17-11-15-3-1-2-4-19(15)25-12-17/h1-6,8-9,11-13,18H,7,10,24H2,(H,26,28)
InChIKeyXGAZNCHSHWWKOH-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.25
Rot. Bonds6

About 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide

2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 18458266) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID18458266
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
SMILESNC(CCc1ccc(F)cc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1
InChIInChI=1S/C22H19FN4O2/c23-16-8-5-14(6-9-16)7-10-18(24)22-27-20(13-29-22)21(28)26-17-11-15-3-1-2-4-19(15)25-12-17/h1-6,8-9,11-13,18H,7,10,24H2,(H,26,28)
InChIKeyXGAZNCHSHWWKOH-UHFFFAOYSA-N
XLogP4.25
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ALP-POS-02c6a514-50
CID 156906926
ALP-POS-95f71980-10
CID 156906389
ALP-POS-95f71980-34
CID 156906405
ALP-POS-ced8ea4d-1
CID 156906580
ALP-POS-ced8ea4d-13
CID 156906591
ALP-POS-ced8ea4d-14
CID 156906592
ALP-POS-ced8ea4d-20
CID 156906597
ALP-POS-ced8ea4d-22
CID 156906599
ALP-POS-ced8ea4d-26
CID 156906603
ALP-POS-ced8ea4d-27
CID 156906604
ALP-POS-ced8ea4d-28
CID 156906605
ALP-POS-ced8ea4d-30
CID 156906607

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide (CID 18458266) is 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide is NC(CCc1ccc(F)cc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1.
What is the InChIKey of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is XGAZNCHSHWWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-16-8-5-14(6-9-16)7-10-18(24)22-27-20(13-29-22)21(28)26-17-11-15-3-1-2-4-19(15)25-12-17/h1-6,8-9,11-13,18H,7,10,24H2,(H,26,28).
What are the key properties of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide?
2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 18458266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).