1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea

C17H19N7O3S — CID 52919494

IUPAC1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea
SMILESCc1nc(NC(=O)NCN2CCOCC2)sc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H19N7O3S/c1-11-13(15-21-14(23-27-15)12-3-2-4-18-9-12)28-17(20-11)22-16(25)19-10-24-5-7-26-8-6-24/h2-4,9H,5-8,10H2,1H3,(H2,19,20,22,25)
InChIKeyBLZYVGYNRCXRNQ-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea

1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea (PubChem CID 52919494) has the molecular formula C17H19N7O3S and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea
PubChem CID52919494
Molecular FormulaC17H19N7O3S
Molecular Weight401.45 g/mol
Exact Mass401.13
IUPAC Name1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea
SMILESCc1nc(NC(=O)NCN2CCOCC2)sc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H19N7O3S/c1-11-13(15-21-14(23-27-15)12-3-2-4-18-9-12)28-17(20-11)22-16(25)19-10-24-5-7-26-8-6-24/h2-4,9H,5-8,10H2,1H3,(H2,19,20,22,25)
InChIKeyBLZYVGYNRCXRNQ-UHFFFAOYSA-N
XLogP1.97
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea?
The IUPAC name of 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea (CID 52919494) is 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea is Cc1nc(NC(=O)NCN2CCOCC2)sc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea?
The InChIKey is BLZYVGYNRCXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3S/c1-11-13(15-21-14(23-27-15)12-3-2-4-18-9-12)28-17(20-11)22-16(25)19-10-24-5-7-26-8-6-24/h2-4,9H,5-8,10H2,1H3,(H2,19,20,22,25).
What are the key properties of 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea?
1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea has a molecular weight of 401.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-(morpholin-4-ylmethyl)urea is sourced from PubChem (CID 52919494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).