(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C16H20BrN3O3 — CID 100816507

IUPAC(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H20BrN3O3/c1-10(15(21)18-9-12-4-3-7-22-12)23-16-13-8-11(17)5-6-14(13)20(2)19-16/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,21)/t10-,12-/m1/s1
InChIKeyOELWSFXUONBNTQ-ZYHUDNBSSA-N
MW382.26 g/mol
LogP2.40
Rot. Bonds5

About (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 100816507) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID100816507
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H20BrN3O3/c1-10(15(21)18-9-12-4-3-7-22-12)23-16-13-8-11(17)5-6-14(13)20(2)19-16/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,21)/t10-,12-/m1/s1
InChIKeyOELWSFXUONBNTQ-ZYHUDNBSSA-N
XLogP2.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787
2-[2-(4-bromophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415608

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 100816507) is (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@@H](Oc1nn(C)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is OELWSFXUONBNTQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10(15(21)18-9-12-4-3-7-22-12)23-16-13-8-11(17)5-6-14(13)20(2)19-16/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,21)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 382.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-1-methylindazol-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 100816507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).