2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

C18H20N4O3 — CID 72859965

IUPAC2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2ncc3ccccc32)on1
InChIInChI=1S/C18H20N4O3/c1-12-6-15(25-21-12)7-14-10-24-11-16(14)20-18(23)9-22-17-5-3-2-4-13(17)8-19-22/h2-6,8,14,16H,7,9-11H2,1H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyPEERXCJPRIDDBU-ZBFHGGJFSA-N
MW340.38 g/mol
LogP1.71
Rot. Bonds5

About 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (PubChem CID 72859965) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
PubChem CID72859965
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2ncc3ccccc32)on1
InChIInChI=1S/C18H20N4O3/c1-12-6-15(25-21-12)7-14-10-24-11-16(14)20-18(23)9-22-17-5-3-2-4-13(17)8-19-22/h2-6,8,14,16H,7,9-11H2,1H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyPEERXCJPRIDDBU-ZBFHGGJFSA-N
XLogP1.71
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (CID 72859965) is 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cn2ncc3ccccc32)on1.
What is the InChIKey of 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The InChIKey is PEERXCJPRIDDBU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-6-15(25-21-12)7-14-10-24-11-16(14)20-18(23)9-22-17-5-3-2-4-13(17)8-19-22/h2-6,8,14,16H,7,9-11H2,1H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is sourced from PubChem (CID 72859965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).