(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide

C22H19ClN6O5 — CID 118945701

IUPAC(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)n1c(=O)nc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H19ClN6O5/c1-13(19(24)30)29-21(31)26-20(28(22(29)32)12-14-2-4-15(23)5-3-14)25-16-6-8-17(9-7-16)34-18-10-11-33-27-18/h2-11,13H,12H2,1H3,(H2,24,30)(H,25,26,31)/t13-/m1/s1
InChIKeyBRUHAIRMGJRZAX-CYBMUJFWSA-N
MW482.88 g/mol
LogP2.68
Rot. Bonds8

About (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide

(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide (PubChem CID 118945701) has the molecular formula C22H19ClN6O5 and a molecular weight of 482.88 g/mol. Its IUPAC name is (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide
PubChem CID118945701
Molecular FormulaC22H19ClN6O5
Molecular Weight482.88 g/mol
Exact Mass482.11
IUPAC Name(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)n1c(=O)nc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H19ClN6O5/c1-13(19(24)30)29-21(31)26-20(28(22(29)32)12-14-2-4-15(23)5-3-14)25-16-6-8-17(9-7-16)34-18-10-11-33-27-18/h2-11,13H,12H2,1H3,(H2,24,30)(H,25,26,31)/t13-/m1/s1
InChIKeyBRUHAIRMGJRZAX-CYBMUJFWSA-N
XLogP2.68
TPSA147.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide 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

methyl (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate
CID 118945656
4-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]-3-oxobutanenitrile
CID 162224027
methyl (2R,3S)-3-[3-[(4-chlorophenyl)methyl]-4-[4-[(4-chloro-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylbutanoate
CID 121295418
(2R,3S)-3-[3-[(4-chlorophenyl)methyl]-4-[3-fluoro-4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylbutanoic acid
CID 71610429
(2R,3S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyrazin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylbutanoic acid
CID 121295605
1-[(4-chlorophenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 58578665
methyl 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]benzoate
CID 58578816
1-[(4-chlorophenyl)methyl]-6-(4-ethylanilino)-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578869
3-[(4-chlorophenyl)methyl]-5-[2-(1,2-oxazol-3-yl)-2-oxoethyl]-2-[4-(1,2-oxazol-3-yloxy)anilino]pyrimidin-4-one
CID 159495041
1-[(4-fluorophenyl)methyl]-6-[4-(1,2-oxazol-3-yloxy)anilino]-3-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]-1,3,5-triazine-2,4-dione
CID 118945574
6-(4-chloroanilino)-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578682
(2S)-3-[3-[(4-chlorophenyl)methyl]-4-[4-(5-chloropyrazin-2-yl)oxyanilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylpropanoic acid
CID 121295474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide?
The IUPAC name of (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide (CID 118945701) is (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide is C[C@H](C(N)=O)n1c(=O)nc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide?
The InChIKey is BRUHAIRMGJRZAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19ClN6O5/c1-13(19(24)30)29-21(31)26-20(28(22(29)32)12-14-2-4-15(23)5-3-14)25-16-6-8-17(9-7-16)34-18-10-11-33-27-18/h2-11,13H,12H2,1H3,(H2,24,30)(H,25,26,31)/t13-/m1/s1.
What are the key properties of (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide?
(2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide has a molecular weight of 482.88 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanamide is sourced from PubChem (CID 118945701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).