2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid

C18H22N6O4 — CID 155919770

IUPAC2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid
SMILESCc1ccc2oc(N3CCC(c4nc(C(C)O)nn4CC(=O)O)CC3)nc2n1
InChIInChI=1S/C18H22N6O4/c1-10-3-4-13-16(19-10)21-18(28-13)23-7-5-12(6-8-23)17-20-15(11(2)25)22-24(17)9-14(26)27/h3-4,11-12,25H,5-9H2,1-2H3,(H,26,27)
InChIKeyWEMYDPBFUIXQGK-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid

2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid (PubChem CID 155919770) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid
PubChem CID155919770
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid
SMILESCc1ccc2oc(N3CCC(c4nc(C(C)O)nn4CC(=O)O)CC3)nc2n1
InChIInChI=1S/C18H22N6O4/c1-10-3-4-13-16(19-10)21-18(28-13)23-7-5-12(6-8-23)17-20-15(11(2)25)22-24(17)9-14(26)27/h3-4,11-12,25H,5-9H2,1-2H3,(H,26,27)
InChIKeyWEMYDPBFUIXQGK-UHFFFAOYSA-N
XLogP1.64
TPSA130.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-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

1-[1-ethyl-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol
CID 154818661
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 155493965
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154823721
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 154567726
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
1-[1-tert-butyl-5-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]ethanol
CID 146045701
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154823090
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154818169
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid (CID 155919770) is 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid is Cc1ccc2oc(N3CCC(c4nc(C(C)O)nn4CC(=O)O)CC3)nc2n1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is WEMYDPBFUIXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-10-3-4-13-16(19-10)21-18(28-13)23-7-5-12(6-8-23)17-20-15(11(2)25)22-24(17)9-14(26)27/h3-4,11-12,25H,5-9H2,1-2H3,(H,26,27).
What are the key properties of 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid?
2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 386.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 155919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).