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

C19H20FN3O3 — CID 72856672

IUPAC5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc3cc(F)ccc3n2C)on1
InChIInChI=1S/C19H20FN3O3/c1-11-5-15(26-22-11)7-13-9-25-10-16(13)21-19(24)18-8-12-6-14(20)3-4-17(12)23(18)2/h3-6,8,13,16H,7,9-10H2,1-2H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyZRGCKILRGCJENI-CJNGLKHVSA-N
MW357.39 g/mol
LogP2.60
Rot. Bonds4

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

5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide (PubChem CID 72856672) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide
PubChem CID72856672
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc3cc(F)ccc3n2C)on1
InChIInChI=1S/C19H20FN3O3/c1-11-5-15(26-22-11)7-13-9-25-10-16(13)21-19(24)18-8-12-6-14(20)3-4-17(12)23(18)2/h3-6,8,13,16H,7,9-10H2,1-2H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyZRGCKILRGCJENI-CJNGLKHVSA-N
XLogP2.60
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide (CID 72856672) is 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc3cc(F)ccc3n2C)on1.
What is the InChIKey of 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide?
The InChIKey is ZRGCKILRGCJENI-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11-5-15(26-22-11)7-13-9-25-10-16(13)21-19(24)18-8-12-6-14(20)3-4-17(12)23(18)2/h3-6,8,13,16H,7,9-10H2,1-2H3,(H,21,24)/t13-,16+/m1/s1.
What are the key properties of 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide?
5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]indole-2-carboxamide is sourced from PubChem (CID 72856672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).