2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid

C18H19N3O4 — CID 119235412

IUPAC2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)no1
InChIInChI=1S/C18H19N3O4/c1-18(2,3)15-9-13(20-25-15)17(24)19-12-4-5-14-11(8-12)6-7-21(14)10-16(22)23/h4-9H,10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyNRGCOZUERSLQHT-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.26
Rot. Bonds4

About 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid

2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid (PubChem CID 119235412) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
PubChem CID119235412
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
SMILESCC(C)(C)c1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)no1
InChIInChI=1S/C18H19N3O4/c1-18(2,3)15-9-13(20-25-15)17(24)19-12-4-5-14-11(8-12)6-7-21(14)10-16(22)23/h4-9H,10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyNRGCOZUERSLQHT-UHFFFAOYSA-N
XLogP3.26
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235417
2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235427
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235594
2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid
CID 119235611
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
CID 75445751
2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
CID 119235436
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid (CID 119235412) is 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid is CC(C)(C)c1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)no1.
What is the InChIKey of 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid?
The InChIKey is NRGCOZUERSLQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(2,3)15-9-13(20-25-15)17(24)19-12-4-5-14-11(8-12)6-7-21(14)10-16(22)23/h4-9H,10H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid?
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).