1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C19H21N5O2S — CID 126437671

IUPAC1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1ccc(CN(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)C2CC2)s1
InChIInChI=1S/C19H21N5O2S/c1-12-3-6-16(27-12)11-24(15-4-5-15)19(25)21-13(2)18-22-17(23-26-18)14-7-9-20-10-8-14/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyFMSIUOYLGVZPRE-CYBMUJFWSA-N
MW383.48 g/mol
LogP3.94
Rot. Bonds6

About 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 126437671) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID126437671
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1ccc(CN(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)C2CC2)s1
InChIInChI=1S/C19H21N5O2S/c1-12-3-6-16(27-12)11-24(15-4-5-15)19(25)21-13(2)18-22-17(23-26-18)14-7-9-20-10-8-14/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyFMSIUOYLGVZPRE-CYBMUJFWSA-N
XLogP3.94
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 126437671) is 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1ccc(CN(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is FMSIUOYLGVZPRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-3-6-16(27-12)11-24(15-4-5-15)19(25)21-13(2)18-22-17(23-26-18)14-7-9-20-10-8-14/h3,6-10,13,15H,4-5,11H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 383.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 126437671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).