(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid

C19H24N2O4 — CID 119364024

IUPAC(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)10-15(19(23)24)21-17(22)8-9-18-20-11-16(25-18)14-6-4-13(3)5-7-14/h4-7,11-12,15H,8-10H2,1-3H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyXLBVPFLVRRMOIL-OAHLLOKOSA-N
MW344.41 g/mol
LogP3.20
Rot. Bonds8

About (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid

(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid (PubChem CID 119364024) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
PubChem CID119364024
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
SMILESCc1ccc(-c2cnc(CCC(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)10-15(19(23)24)21-17(22)8-9-18-20-11-16(25-18)14-6-4-13(3)5-7-14/h4-7,11-12,15H,8-10H2,1-3H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyXLBVPFLVRRMOIL-OAHLLOKOSA-N
XLogP3.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
CID 119253516
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
CID 51645784
N-[(1S)-1-(furan-2-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51908866
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51100367
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid (CID 119364024) is (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid is Cc1ccc(-c2cnc(CCC(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1.
What is the InChIKey of (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
The InChIKey is XLBVPFLVRRMOIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)10-15(19(23)24)21-17(22)8-9-18-20-11-16(25-18)14-6-4-13(3)5-7-14/h4-7,11-12,15H,8-10H2,1-3H3,(H,21,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid?
(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid has a molecular weight of 344.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid is sourced from PubChem (CID 119364024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).