N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide

C23H19F2N3O3 — CID 139923397

IUPACN-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
SMILESO=C(CC1CC(c2cccnc2)=NO1)Nc1ccc(C(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F2N3O3/c24-16-5-8-19(20(25)10-16)23(30)14-3-6-17(7-4-14)27-22(29)12-18-11-21(28-31-18)15-2-1-9-26-13-15/h1-10,13,18,23,30H,11-12H2,(H,27,29)
InChIKeySHGCUTDTNSERGR-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide

N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide (PubChem CID 139923397) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
PubChem CID139923397
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC NameN-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
SMILESO=C(CC1CC(c2cccnc2)=NO1)Nc1ccc(C(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F2N3O3/c24-16-5-8-19(20(25)10-16)23(30)14-3-6-17(7-4-14)27-22(29)12-18-11-21(28-31-18)15-2-1-9-26-13-15/h1-10,13,18,23,30H,11-12H2,(H,27,29)
InChIKeySHGCUTDTNSERGR-UHFFFAOYSA-N
XLogP3.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-difluorobenzoyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923414
N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923399
N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 139923407
N-[4-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]-phenylmethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923405
N-[4-(chloro-cyano-phenylmethyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 139923432
N-[4-(azido-cyano-phenylmethyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923393
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
CID 14899368
N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 42815978
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide (CID 139923397) is N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide is O=C(CC1CC(c2cccnc2)=NO1)Nc1ccc(C(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?
The InChIKey is SHGCUTDTNSERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c24-16-5-8-19(20(25)10-16)23(30)14-3-6-17(7-4-14)27-22(29)12-18-11-21(28-31-18)15-2-1-9-26-13-15/h1-10,13,18,23,30H,11-12H2,(H,27,29).
What are the key properties of N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?
N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide has a molecular weight of 423.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 139923397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).