(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

C16H24N6O3 — CID 129337598

IUPAC(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1
InChIInChI=1S/C16H24N6O3/c1-4-5-21-9-12(8-17-21)18-16(23)22-6-7-24-10-13(22)15-20-19-14(25-15)11(2)3/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeySLWNWBWYHQXIJB-ZDUSSCGKSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds5

About (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 129337598) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID129337598
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1
InChIInChI=1S/C16H24N6O3/c1-4-5-21-9-12(8-17-21)18-16(23)22-6-7-24-10-13(22)15-20-19-14(25-15)11(2)3/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeySLWNWBWYHQXIJB-ZDUSSCGKSA-N
XLogP2.40
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (CID 129337598) is (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is CCCn1cc(NC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1.
What is the InChIKey of (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is SLWNWBWYHQXIJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-4-5-21-9-12(8-17-21)18-16(23)22-6-7-24-10-13(22)15-20-19-14(25-15)11(2)3/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129337598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).