(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C22H21ClN2O4 — CID 7870128

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O4/c1-14-18(15(2)29-25-14)13-28-21(26)12-20(16-8-4-3-5-9-16)24-22(27)17-10-6-7-11-19(17)23/h3-11,20H,12-13H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyAZYZHKDTWQUZKS-HXUWFJFHSA-N
MW412.87 g/mol
LogP4.55
Rot. Bonds7

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 7870128) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID7870128
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O4/c1-14-18(15(2)29-25-14)13-28-21(26)12-20(16-8-4-3-5-9-16)24-22(27)17-10-6-7-11-19(17)23/h3-11,20H,12-13H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyAZYZHKDTWQUZKS-HXUWFJFHSA-N
XLogP4.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55399477
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
cyanomethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42967927
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 7229283
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1R)-1,2-diphenylethyl]benzamide
CID 41193412
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198264
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198266
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315
(2-oxo-2-phenothiazin-10-ylethyl) 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4043095

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 7870128) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is Cc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is AZYZHKDTWQUZKS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-14-18(15(2)29-25-14)13-28-21(26)12-20(16-8-4-3-5-9-16)24-22(27)17-10-6-7-11-19(17)23/h3-11,20H,12-13H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 412.87 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 7870128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).