2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid

C16H14N4O4 — CID 165146735

IUPAC2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)o2)o1
InChIInChI=1S/C16H14N4O4/c21-14(22)7-13-19-20-15(24-13)12-8-17-16(23-12)18-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7H2,(H,17,18)(H,21,22)
InChIKeyGZEPALXHGCIHNW-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.93
Rot. Bonds5

About 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 165146735) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID165146735
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)o2)o1
InChIInChI=1S/C16H14N4O4/c21-14(22)7-13-19-20-15(24-13)12-8-17-16(23-12)18-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7H2,(H,17,18)(H,21,22)
InChIKeyGZEPALXHGCIHNW-UHFFFAOYSA-N
XLogP1.93
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid 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

[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
CID 175289369
5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957493
6-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxylic acid
CID 114009300
(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
2-[4-(2,3-dihydro-1H-inden-2-ylamino)phenoxy]acetamide
CID 43711232
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate
CID 165146803
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107854716
5-(2-methoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
CID 167893504
5-amino-2-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxamide
CID 107844315

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid (CID 165146735) is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid is O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)o2)o1.
What is the InChIKey of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is GZEPALXHGCIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14(22)7-13-19-20-15(24-13)12-8-17-16(23-12)18-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7H2,(H,17,18)(H,21,22).
What are the key properties of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid?
2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 165146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).