(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H23N5O2 — CID 171336960

IUPAC(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc(CNC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2c2nc(C3CC3)no2)cn1
InChIInChI=1S/C18H23N5O2/c1-23-9-10(8-20-23)7-19-17(24)14-12-4-5-13(6-12)15(14)18-21-16(22-25-18)11-2-3-11/h8-9,11-15H,2-7H2,1H3,(H,19,24)/t12-,13+,14-,15-/m0/s1
InChIKeyOJBSTOOLUSXKKD-XGUBFFRZSA-N
MW341.42 g/mol
LogP2.13
Rot. Bonds5

About (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171336960) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171336960
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc(CNC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2c2nc(C3CC3)no2)cn1
InChIInChI=1S/C18H23N5O2/c1-23-9-10(8-20-23)7-19-17(24)14-12-4-5-13(6-12)15(14)18-21-16(22-25-18)11-2-3-11/h8-9,11-15H,2-7H2,1H3,(H,19,24)/t12-,13+,14-,15-/m0/s1
InChIKeyOJBSTOOLUSXKKD-XGUBFFRZSA-N
XLogP2.13
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 171336960) is (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is Cn1cc(CNC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2c2nc(C3CC3)no2)cn1.
What is the InChIKey of (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OJBSTOOLUSXKKD-XGUBFFRZSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-23-9-10(8-20-23)7-19-17(24)14-12-4-5-13(6-12)15(14)18-21-16(22-25-18)11-2-3-11/h8-9,11-15H,2-7H2,1H3,(H,19,24)/t12-,13+,14-,15-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).