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

C19H21N3O3 — CID 72938947

IUPAC1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn(C)c3ccccc23)on1
InChIInChI=1S/C19H21N3O3/c1-12-7-14(25-21-12)8-13-10-24-11-17(13)20-19(23)16-9-22(2)18-6-4-3-5-15(16)18/h3-7,9,13,17H,8,10-11H2,1-2H3,(H,20,23)/t13-,17+/m1/s1
InChIKeyZUMUFHWEWNWYMY-DYVFJYSZSA-N
MW339.40 g/mol
LogP2.46
Rot. Bonds4

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

1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide (PubChem CID 72938947) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide
PubChem CID72938947
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn(C)c3ccccc23)on1
InChIInChI=1S/C19H21N3O3/c1-12-7-14(25-21-12)8-13-10-24-11-17(13)20-19(23)16-9-22(2)18-6-4-3-5-15(16)18/h3-7,9,13,17H,8,10-11H2,1-2H3,(H,20,23)/t13-,17+/m1/s1
InChIKeyZUMUFHWEWNWYMY-DYVFJYSZSA-N
XLogP2.46
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide (CID 72938947) is 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn(C)c3ccccc23)on1.
What is the InChIKey of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide?
The InChIKey is ZUMUFHWEWNWYMY-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-14(25-21-12)8-13-10-24-11-17(13)20-19(23)16-9-22(2)18-6-4-3-5-15(16)18/h3-7,9,13,17H,8,10-11H2,1-2H3,(H,20,23)/t13-,17+/m1/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide?
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-3-carboxamide is sourced from PubChem (CID 72938947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).