2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid

C19H23N3O5 — CID 120523489

IUPAC2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H23N3O5/c1-11(19-12(2)22-27-13(19)3)8-17(24)21-15-6-4-14(5-7-15)9-16(23)20-10-18(25)26/h4-7,11H,8-10H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)
InChIKeyNUUFRPZAJXLLOR-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.17
Rot. Bonds8

About 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid (PubChem CID 120523489) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
PubChem CID120523489
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H23N3O5/c1-11(19-12(2)22-27-13(19)3)8-17(24)21-15-6-4-14(5-7-15)9-16(23)20-10-18(25)26/h4-7,11H,8-10H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)
InChIKeyNUUFRPZAJXLLOR-UHFFFAOYSA-N
XLogP2.17
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
CID 120531979
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
CID 109378471
2-[[2-[4-(2,4-dimethylpent-4-enoylamino)phenyl]acetyl]amino]acetic acid
CID 120687097
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxy-6-methyl-2-pyridinyl)butanamide
CID 138993062
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
3-(4-tert-butylphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]propanoic acid
CID 120520525
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid (CID 120523489) is 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid is Cc1noc(C)c1C(C)CC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid?
The InChIKey is NUUFRPZAJXLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(19-12(2)22-27-13(19)3)8-17(24)21-15-6-4-14(5-7-15)9-16(23)20-10-18(25)26/h4-7,11H,8-10H2,1-3H3,(H,20,23)(H,21,24)(H,25,26).
What are the key properties of 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120523489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).