3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide

C19H23N5O3 — CID 138037566

IUPAC3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide
SMILESCc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(C)C1CC(C(N)=O)C1
InChIInChI=1S/C19H23N5O3/c1-10-7-12(18-22-17(23-27-18)11-3-4-11)5-6-15(10)21-19(26)24(2)14-8-13(9-14)16(20)25/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H2,20,25)(H,21,26)
InChIKeyGSNSFHZVABOVBV-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.65
Rot. Bonds5

About 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide

3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide (PubChem CID 138037566) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide
PubChem CID138037566
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide
SMILESCc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(C)C1CC(C(N)=O)C1
InChIInChI=1S/C19H23N5O3/c1-10-7-12(18-22-17(23-27-18)11-3-4-11)5-6-15(10)21-19(26)24(2)14-8-13(9-14)16(20)25/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H2,20,25)(H,21,26)
InChIKeyGSNSFHZVABOVBV-UHFFFAOYSA-N
XLogP2.65
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide?
The IUPAC name of 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide (CID 138037566) is 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide is Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(C)C1CC(C(N)=O)C1.
What is the InChIKey of 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide?
The InChIKey is GSNSFHZVABOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-10-7-12(18-22-17(23-27-18)11-3-4-11)5-6-15(10)21-19(26)24(2)14-8-13(9-14)16(20)25/h5-7,11,13-14H,3-4,8-9H2,1-2H3,(H2,20,25)(H,21,26).
What are the key properties of 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide?
3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl-methylamino]cyclobutane-1-carboxamide is sourced from PubChem (CID 138037566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).