3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C23H27FN4O3 — CID 56564506

IUPAC3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2cccc(F)c2)=NO1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C23H27FN4O3/c24-20-4-1-3-19(15-20)21-16-22(31-26-21)23(29)28(17-18-5-7-25-8-6-18)10-2-9-27-11-13-30-14-12-27/h1,3-8,15,22H,2,9-14,16-17H2
InChIKeySRLUGXCSVPPSBR-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.46
Rot. Bonds8

About 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 56564506) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID56564506
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2cccc(F)c2)=NO1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C23H27FN4O3/c24-20-4-1-3-19(15-20)21-16-22(31-26-21)23(29)28(17-18-5-7-25-8-6-18)10-2-9-27-11-13-30-14-12-27/h1,3-8,15,22H,2,9-14,16-17H2
InChIKeySRLUGXCSVPPSBR-UHFFFAOYSA-N
XLogP2.46
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 56564244
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
3-(3-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55644565
2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
CID 56564473
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
CID 95345309
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089120
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 56564506) is 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(C1CC(c2cccc(F)c2)=NO1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SRLUGXCSVPPSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-20-4-1-3-19(15-20)21-16-22(31-26-21)23(29)28(17-18-5-7-25-8-6-18)10-2-9-27-11-13-30-14-12-27/h1,3-8,15,22H,2,9-14,16-17H2.
What are the key properties of 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56564506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).